Crystallography Open Database

Information card for entry 7159753

Preview

Coordinates	7159753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H23 N O4 S
Calculated formula	C32 H23 N O4 S
SMILES	S1c2c(C(=O)c3cc4nc(oc4cc13)c1c3CCc4c(cc(cc4)CCc(c1)cc3)C(=O)OC)cccc2
Title of publication	The hamburger-shape photocatalyst: thioxanthone-based chiral [2.2]paracyclophane for enantioselective visible-light photocatalysis of 3-methylquinoxalin-2(1<i>H</i>)-one and styrenes.
Authors of publication	Huo, Shou-Chih; Indurmuddam, Ranadheer Reddy; Hong, Bor-Cherng; Lu, Chuan-Fu; Chien, Su-Ying
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	47
Pages of publication	9330 - 9336
a	10.9527 ± 0.0002 Å
b	12.7611 ± 0.0003 Å
c	17.1116 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2391.66 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0567
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1351
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288699 (current)	2024-01-05	cif/ Adding structures of 7159750, 7159751, 7159752, 7159753 via cif-deposit CGI script.	7159753.cif