Crystallography Open Database

Information card for entry 1551739

Preview

Coordinates	1551739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 N2
Calculated formula	C32 H26 N2
SMILES	c1cc(C(=NN=C(c2ccccc2)c2ccccc2)c2ccccc2)ccc1.c1ccccc1
Title of publication	Crystal Structure of Benzene-Solvate of Bis(benzophenone) Azine: A Color Polymorph
Authors of publication	IMAI, Kazunori; TAKAHASHI, Mai; ISHII, Rie; KOBAYASHI, Keiji
Journal of publication	X-ray Structure Analysis Online
Year of publication	2011
Journal volume	27
Pages of publication	75
a	8.646 ± 0.006 Å
b	9.096 ± 0.005 Å
c	9.217 ± 0.006 Å
α	78.01 ± 0.02°
β	64.23 ± 0.02°
γ	67.39 ± 0.02°
Cell volume	601.9 ± 0.7 Å³
Cell temperature	223.1 K
Ambient diffraction temperature	223 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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