Crystallography Open Database

Information card for entry 7109190

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Coordinates	7109190.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,2,6,7-tetrapropylcyclopenta[hi]aceanthrylene
Formula	C30 H34
Calculated formula	C30 H34
SMILES	CCCc1c2c3c(c4c(CCC)c(c5c4c2ccc5)CCC)cccc3c1CCC
Title of publication	Ambipolar organic semiconductors from electron-accepting cyclopenta-fused anthracene
Authors of publication	Hai Xia; Danqing Liu; Xiaomin Xua; Qian Miao
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	4301
a	4.8931 ± 0.0007 Å
b	10.3024 ± 0.0015 Å
c	11.9639 ± 0.0018 Å
α	85.254 ± 0.003°
β	80.129 ± 0.003°
γ	86.958 ± 0.003°
Cell volume	591.68 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.1239
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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