Crystallography Open Database

Information card for entry 4038379

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Structure parameters

Formula	C19 H22 O6
Calculated formula	C19 H22 O6
SMILES	O(C)c1c(OC)cc(c2c(cc(OC)c(OC)c2)C(=O)C)cc1OC
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	10.0533 ± 0.0005 Å
b	10.1641 ± 0.0006 Å
c	10.8552 ± 0.0006 Å
α	63.909 ± 0.002°
β	72.068 ± 0.002°
γ	64.666 ± 0.002°
Cell volume	890.53 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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.	4038379.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.	4038379.cif