Crystallography Open Database

Information card for entry 7157165

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Structure parameters

Formula	C25 H18 F N O4
Calculated formula	C25 H18 F N O4
Title of publication	Thermal-mediated [1,3]-hydrogen transfer as the key step: access to oxindole-chromone hybrid collection with structural diversity
Authors of publication	Gong, Ying; Xu, Sheng-Wen; Liu, Xiong-Wei; Li, Zheng; Liu, Xiong-Li; Yao, Zhen; Zhou, Ying
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2019
a	10.567 ± 0.0008 Å
b	21.4436 ± 0.0016 Å
c	9.5202 ± 0.0009 Å
α	90°
β	114.05 ± 0.01°
γ	90°
Cell volume	1970 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
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	0.085
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.108
Weighted residual factors for all reflections included in the refinement	0.1241
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7157165.cif
219508	2019-10-25	cif/ Adding structures of 7157163, 7157164, 7157165, 7157166, 7157167, 7157168, 7157169, 7157170, 7157171 via cif-deposit CGI script.	7157165.cif