Crystallography Open Database

Information card for entry 7240416

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Structure parameters

Formula	C11 H9 F O2
Calculated formula	C11 H9 F O2
SMILES	Fc1ccc2OC(=C(C(=O)c2c1)C)C
Title of publication	Catalytic C–C coupling of diazo compounds with arylboronic acids: using surface modified sewage sludge as catalyst
Authors of publication	Zhang, Zhipeng; Yu, Yang; Xie, Yuxing; Hughes, Timothy; Xu, Jun; Huang, Fei; Huang, He
Journal of publication	Green Chemistry
Year of publication	2020
Journal volume	22
Journal issue	13
Pages of publication	4165 - 4173
a	8.2958 ± 0.0008 Å
b	7.8128 ± 0.0007 Å
c	14.5059 ± 0.0016 Å
α	90°
β	98.757 ± 0.003°
γ	90°
Cell volume	929.22 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1343
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7240416.cif
257603	2020-10-06	cif/ Updating files of 7240416 Original log message: Adding full bibliography for 7240416.cif.	7240416.cif
255018	2020-08-06	cif/ Updating files of 7240416 Original log message: Adding full bibliography for 7240416.cif.	7240416.cif
251204	2020-04-28	cif/ Adding structures of 7240416 via cif-deposit CGI script.	7240416.cif