Crystallography Open Database

Information card for entry 7220688

7220687 << 7220688 >> 7220689

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Structure parameters

Formula	C19 H15 N3 O2
Calculated formula	C19 H15 N3 O2
SMILES	c1cccc2c1c(c1c(c2)cccc1)c1nc(nc(n1)OC)OC
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	8.2169 ± 0.0008 Å
b	9.622 ± 0.0009 Å
c	11.5715 ± 0.0011 Å
α	65.807 ± 0.002°
β	72.714 ± 0.002°
γ	89.496 ± 0.002°
Cell volume	790.1 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	7220688.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.	7220688.cif
138342	2015-06-05	cif/ Adding structures of 7220688, 7220689 via cif-deposit CGI script.	7220688.cif