Crystallography Open Database

Information card for entry 4500034

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Structure parameters

Formula	C36 H26
Calculated formula	C36 H26
SMILES	c1(c(c(c(c(c1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Structural Features in Crystals of Derivatives of Benzene with Multiple Contiguous Phenyl Substituents
Authors of publication	Gagnon, Eric; Maris, Thierry; Arseneault, Pierre-Marc; Maly, Kenneth E.; Wuest,James D
Journal of publication	Cryst. Growth & Design
Year of publication	2010
Journal volume	10
Pages of publication	648 - 657
a	10.1713 ± 0.0003 Å
b	12.1167 ± 0.0004 Å
c	13.0185 ± 0.0005 Å
α	63.194 ± 0.001°
β	68.387 ± 0.002°
γ	65.645 ± 0.001°
Cell volume	1271.35 ± 0.08 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.0963
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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