Crystallography Open Database

Information card for entry 4038381

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Structure parameters

Formula	C17 H16 O4 S
Calculated formula	C17 H16 O4 S
SMILES	S(=O)(=O)(C)/C=C\1c2cc(OC)c(OC)cc2c2c1cccc2
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	8.5546 ± 0.0002 Å
b	9.0687 ± 0.0002 Å
c	9.976 ± 0.0002 Å
α	85.885 ± 0.001°
β	73.753 ± 0.001°
γ	86.552 ± 0.001°
Cell volume	740.46 ± 0.03 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0348
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	4038381.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.	4038381.cif