This Supporting Electronic Data readme.txt file was generated on 20250109 by Lyle Isaacs

-------------------
GENERAL INFORMATION
-------------------

1. Title of Dataset: Supporting Electronic Data 

2. Author Information:

Principal Investigator Contact Information:
Name: Prof. Dr. Lyle Isaacs
Institution: University of Maryland College Park
Address: Department of Chemistry and Biochemistry, 8051 Regents Dr.
Email: LIsaacs@umd.edu

3. Date of data collection: 20220101 Ð 20241001

4. Geographic location of data collection: College Park, Maryland, United States 

5. Information about funding sources that supported the collection of the data:

Past support: National Science Foundation (CHE-1807486) 
Current Support: National Institute of General Medical Sciences of the National Institutes of Health (R35GM153362)
S.P. thanks the University of Maryland for the G. Forrest Woods Fellowship and the Charlotte Kraebel PhD'59 endowed award in organic chemistry. 

--------------------------
SHARING/ACCESS INFORMATION
-------------------------- 

1. Licenses/restrictions placed on the data: None

2. Links to publications that cite or use the data: https://doi.org/10.1002/chem.202403176

3. Links to other publicly accessible locations of the data: None

4. Links/relationships to ancillary data sets: Cambridge Cystallographic Data Centre deposit number 2359141. Available at: https://www.ccdc.cam.ac.uk/structures/search?id=doi:10.1002/chem.202403176
DOI: 10.5517/ccdc.csd.cc2k5wbz

5. Was data derived from another source? No

6. Recommended citation for the data: None

---------------------
DATA & FILE OVERVIEW
---------------------

1. File List: 
A. Filename: Data for Diquinone DQ (folder)
Short description: This folder contain the electronic NMR, mass spectrometry and infrared sepectroscopic data.
B. Filename: Figure 2a&Figure S4 (folder).
Short description: This folder contains the supporting data in excel format.
C. Filename: Figure 4&Figure S10 (folder)
Short description: This folder contains the supporting data in excel format.
D. Filename: Figure 5&Figure S13 (folder)
Short description: This folder contains the supporting data in .xy format.
E. Filename: Figure S6, Figure S7, Figure S8, Figure S9, Figure S11, Figure S19, Figure S20, Figure S21, Figure S22, Figure S23 (folders)
Short description: These folders contain the supporting NMR data in topspin native format.
F. Filename: Figure S12, Figure S14, Figure S15 (folders)
Short description: These folders contains the supporting powder x-ray diffraction data in .xy format.
G. Filename: Figure S16 (folder)
Short description: This folders contains the supporting BET data in excel format.
H. Filename: Figure S24, Figure S25 (folders)
Short description: These folders contain the supporting Raman spectroscopy data in excel format.


2. Relationship between files: Not applicable

3. Additional related data collected that was not included in the current data package: Not applicable

4. Are there multiple versions of the dataset? No

--------------------------
METHODOLOGICAL INFORMATION
--------------------------

1. Description of methods used for collection/generation of data: 
The methods used to collect the data are described in the published versions of the paper and the experimental section of the Supporting Information.

2. Methods for processing the data: NMR data was processed using the Topspin software package. Other data was processed and exported using the software packages supplied by the instrument manufacturer.

3. Instrument- or software-specific information needed to interpret the data: Not applicable

4. Standards and calibration information, if appropriate: The NMR spectra are referenced relative to residual protonated solvent signal (e.g. HOD).

5. Environmental/experimental conditions: The conditions are presented in the captions of the Figures in the Supporting Information file.

6. Describe any quality-assurance procedures performed on the data: Not applicable.

7. People involved with sample collection, processing, analysis and/or submission: Suvenika Perera, Alok Shaurya, Andrea Zeppuhar, Fu Chen, Peter Y. Zavalij, Karen Gaskell, Lyle
Isaacs