Crystallography Open Database

Information card for entry 4038392

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Structure parameters

Formula	C22 H17 F O4 S
Calculated formula	C22 H17 F O4 S
SMILES	S(=O)(=O)(c1ccc(F)cc1)/C=C/1c2c(cc(OC)c(OC)c2)c2ccccc12
Title of publication	CuBr<sub>2</sub>-Mediated One-Pot Synthesis of Sulfonyl 9-Fluorenylidenes.
Authors of publication	Chang, Meng-Yang; Tsai, Yu-Lin; Chen, Hsing-Yin
Journal of publication	The Journal of organic chemistry
Year of publication	2020
a	8.3081 ± 0.0003 Å
b	10.2495 ± 0.0003 Å
c	20.9221 ± 0.0007 Å
α	90°
β	94.604 ± 0.002°
γ	90°
Cell volume	1775.85 ± 0.1 Å³
Cell temperature	99 ± 2 K
Ambient diffraction temperature	99 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1119
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4038392.cif
252123	2020-05-17	cif/ Adding structures of 4038379, 4038380, 4038381, 4038382, 4038383, 4038384, 4038385, 4038386, 4038387, 4038388, 4038389, 4038390, 4038391, 4038392, 4038393 via cif-deposit CGI script.	4038392.cif