Crystallography Open Database

Information card for entry 4118976

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Structure parameters

Formula	C32 H20 B N
Calculated formula	C32 H20 B N
SMILES	B12c3c(c4c(N1c1c(c5c2cccc5)ccc2c1cccc2)c1ccccc1cc4)cccc3
Title of publication	Azaboradibenzo[6]helicene: Carrier Inversion Induced by Helical Homochirality
Authors of publication	Takuji Hatakeyama; Sigma Hashimoto; Tsuyoshi Oba; Masaharu Nakamura
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	19600 - 19603
a	19.508 ± 0.003 Å
b	9.6906 ± 0.001 Å
c	15.2967 ± 0.0019 Å
α	90°
β	133.054 ± 0.003°
γ	90°
Cell volume	2113 ± 0.5 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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