Crystallography Open Database

Information card for entry 1501543

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Structure parameters

Formula	C178 H191 N O13
Calculated formula	C178 H191 N O13
SMILES	c1(ccc(cc1)c1c(c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)N(c1ccc(cc1)c1c(c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)c1c(c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
Title of publication	Triarylamines Designed to Form Molecular Glasses. Derivatives of Tris(p-terphenyl-4-yl)amine with Multiple Contiguous Phenyl Substituents
Authors of publication	Gagnon, Eric; Maris, Thierry; Wuest,James D
Journal of publication	Organic Letters
Year of publication	2010
Journal volume	12
Pages of publication	404 - 407
a	16.8098 ± 0.0013 Å
b	10.8804 ± 0.0009 Å
c	40.022 ± 0.003 Å
α	90°
β	95.523 ± 0.003°
γ	90°
Cell volume	7285.9 ± 1 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0904
Residual factor for significantly intense reflections	0.0798
Weighted residual factors for significantly intense reflections	0.2068
Weighted residual factors for all reflections included in the refinement	0.2188
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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