Crystallography Open Database

Information card for entry 1546232

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Structure parameters

Formula	C24 H14 F3 N O
Calculated formula	C24 H14 F3 N O
SMILES	c1(ccc(cc1)c1cnc(c(c1)c1ccc(cc1)F)C(=O)c1ccc(cc1)F)F
Title of publication	Oxidative Trimerization of Amino Acids: Selective Synthesis of 2,3,5-Trisubstituted Pyridines.
Authors of publication	Xiang, Jia-Chen; Cheng, Yan; Wang, Zi-Xuan; Ma, Jin-Tian; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	11
Pages of publication	2997 - 3000
a	10.4652 ± 0.0012 Å
b	10.8048 ± 0.0011 Å
c	17.209 ± 0.002 Å
α	90°
β	105.635 ± 0.003°
γ	90°
Cell volume	1873.9 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0944
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.128
Weighted residual factors for all reflections included in the refinement	0.1571
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1546232.cif
197377	2017-06-05	cif/ Adding structures of 1546232 via cif-deposit CGI script.	1546232.cif