Crystallography Open Database

Information card for entry 4025355

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Structure parameters

Common name	compound 1
Chemical name	N1,N8-bis(diphenylmethylene)anthraquinone-1,8-diamine
Formula	C40 H26 N2 O2
Calculated formula	C40 H26 N2 O2
SMILES	c1(cccc2c1C(=O)c1c(cccc1C2=O)N=C(c1ccccc1)c1ccccc1)N=C(c1ccccc1)c1ccccc1
Title of publication	Structure and Stereodynamics of Aryldiimino Derivatives
Authors of publication	Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	2572 - 2577
a	11.6341 ± 0.0009 Å
b	12.2951 ± 0.0009 Å
c	12.4405 ± 0.0009 Å
α	70.166 ± 0.001°
β	78.517 ± 0.001°
γ	62.393 ± 0.001°
Cell volume	1481.5 ± 0.19 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	0.0781
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.1111
Goodness-of-fit parameter for all reflections included in the refinement	0.971
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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