Crystallography Open Database

Information card for entry 7223336

Preview

Coordinates	7223336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 N2 O4
Calculated formula	C36 H28 N2 O4
SMILES	n1cc(oc1c1ccccc1)c1ccccc1.n1cc(oc1c1ccccc1)c1ccccc1.Oc1ccc(O)cc1
Title of publication	Molecular cocrystals of diphenyloxazole with tunable fluorescence, up-conversion emission and dielectric properties
Authors of publication	Fan, Guoling; Yang, Xiaogang; Liang, Ruizheng; Zhao, Jingwen; Li, Shuzhen; Yan, Dongpeng
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	2
Pages of publication	240
a	21.3375 ± 0.0018 Å
b	5.7007 ± 0.0009 Å
c	23.102 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2810.1 ± 0.6 Å³
Cell temperature	99.7 K
Ambient diffraction temperature	99.7 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1431
Residual factor for significantly intense reflections	0.0809
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1309
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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