Crystallography Open Database

Information card for entry 7220689

7220688 << 7220689 >> 7220690

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Structure parameters

Formula	C32 H21 N3 O
Calculated formula	C32 H21 N3 O
SMILES	O(c1nc(nc(n1)c1c2ccccc2cc2c1cccc2)c1c2c(cc3c1cccc3)cccc2)C
Title of publication	Synthesis and Spectroscopic Properties of Propeller Typed 2,4,6-Tri(anthracen-9-yl)-1,3,5-triazine
Authors of publication	Xu, Li; Wang, Pengfei; Zhang, Juanjuan; Wu, Wei; Shi, Jianwu; Yuan, Jianfang; Wang, Hua; Han, Hui
Journal of publication	RSC Adv.
Year of publication	2015
a	7.93 ± 0.003 Å
b	17.081 ± 0.007 Å
c	18.143 ± 0.006 Å
α	90°
β	104.463 ± 0.015°
γ	90°
Cell volume	2379.6 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1112
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1318
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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.	7220689.cif
176428	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220689.cif
138342	2015-06-05	cif/ Adding structures of 7220688, 7220689 via cif-deposit CGI script.	7220689.cif