Crystallography Open Database

Information card for entry 7221862

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Structure parameters

Formula	C23 H16 O2
Calculated formula	C23 H16 O2
SMILES	O1[C@H](c2c3ccccc3cc3ccccc23)[C@H]1C(=O)c1ccccc1
Title of publication	Chiral octahedral complexes of Co(III) as catalysts for asymmetric epoxidation of chalcones under phase transfer conditions.
Authors of publication	Larionov, Vladimir A.; Markelova, Elina P.; Smol’yakov, Alexander F.; Savel’yeva, Tat’yana F.; Maleev, Victor I.; Belokon, Yuri N.
Journal of publication	RSC Adv.
Year of publication	2015
a	5.0152 ± 0.0007 Å
b	15.45 ± 0.002 Å
c	20.528 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1590.6 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
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	0.0683
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.2033
Weighted residual factors for all reflections included in the refinement	0.206
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7221862.cif
153608	2015-08-22	cif/ Adding structures of 7221862 via cif-deposit CGI script.	7221862.cif