Crystallography Open Database

Information card for entry 4035452

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Structure parameters

Formula	C32 H36 Br N
Calculated formula	C32 H36 Br N
Title of publication	Biconcave and Convex-Concave Tribenzotriquinacene Dimers.
Authors of publication	Li, Zhi-Min; Li, Ya-Wei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	7
Pages of publication	3433 - 3440
a	9.4747 ± 0.0003 Å
b	32.2996 ± 0.0016 Å
c	17.4267 ± 0.0009 Å
α	90°
β	90.412 ± 0.004°
γ	90°
Cell volume	5332.9 ± 0.4 Å³
Cell temperature	293.7 ± 0.1 K
Ambient diffraction temperature	293.7 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1862
Residual factor for significantly intense reflections	0.0765
Weighted residual factors for significantly intense reflections	0.0877
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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