Crystallography Open Database

Information card for entry 1567310

Preview

Coordinates	1567310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 O2 S
Calculated formula	C30 H28 O2 S
SMILES	S1(=O)(=O)c2ccc(cc2c2c1ccc(c2)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design
Authors of publication	Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	33
Pages of publication	9595 - 9606
a	19.7648 ± 0.0012 Å
b	7.4276 ± 0.0004 Å
c	16.1962 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2377.7 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.187
Weighted residual factors for all reflections included in the refinement	0.1936
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
277665 (current)	2022-09-06	cif/ Updating files of 1567306, 1567307, 1567308, 1567309, 1567310, 1567311, 1567312 Original log message: Adding full bibliography for 1567306--1567312.cif.	1567310.cif
276804	2022-07-23	cif/ Adding structures of 1567306, 1567307, 1567308, 1567309, 1567310, 1567311, 1567312 via cif-deposit CGI script.	1567310.cif