Crystallography Open Database

Information card for entry 7160529

Preview

Coordinates	7160529.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H7 F O3
Calculated formula	C10 H7 F O3
Title of publication	Tandem process of asymmetric organocatalysis and selective post-functionalization: enantiodivergent synthesis of bioactive indane-1-carboxylic acid derivatives.
Authors of publication	Zhanabaeva, Madina; Kovalevsky, Ruslan A.; Kucherenko, Alexander S.; Korlyukov, Alexander A.; Zlotin, Sergei G.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	23
Pages of publication	5611 - 5615
a	6.0058 ± 0.0009 Å
b	14.041 ± 0.002 Å
c	19.541 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1647.8 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
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	0.1013
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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
301172 (current)	2025-07-06	cif/ Updating files of 7160529 Original log message: Adding full bibliography for 7160529.cif.	7160529.cif
299569	2025-05-08	cif/ Adding structures of 7160529 via cif-deposit CGI script.	7160529.cif