Crystallography Open Database

Information card for entry 7226703

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Structure parameters

Formula	C25 H21 N O2
Calculated formula	C25 H21 N O2
SMILES	n1c(cc(cc1c1ccccc1)c1ccccc1)c1c(O)c(OCC)ccc1
Title of publication	One-Pot Synthesis of 2,4,6-Triarylpyridines from β-Nitrostyrenes, Substituted Salicylic Aldehydes and Ammonium Acetate
Authors of publication	Qing, Xushun; Wang, Ting; Zhang, Feixiang; Wang, Cunde
Journal of publication	RSC Adv.
Year of publication	2016
a	21.595 ± 0.0012 Å
b	11.9233 ± 0.0006 Å
c	18.1759 ± 0.0009 Å
α	90°
β	125.106 ± 0.002°
γ	90°
Cell volume	3828.7 ± 0.4 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
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.	7226703.cif
186898	2016-10-04	cif/ Adding structures of 7226703 via cif-deposit CGI script.	7226703.cif