Crystallography Open Database

Information card for entry 4035537

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Structure parameters

Formula	C30 H19 N
Calculated formula	C30 H19 N
SMILES	n1(c2ccccc2)c2c(c3c(c4c2cccc4)cccc3)c2cc3c(cc12)cccc3
Title of publication	Synthesis and Properties of Tribenzocarbazoles via an Acid-Promoted Retro (2+2)-Cycloaddition of Azapropellanes.
Authors of publication	Ogawa, Naoki; Yamaoka, Yousuke; Takikawa, Hiroshi; Tsubaki, Kazunori; Takasu, Kiyosei
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	15
Pages of publication	7994 - 8002
a	25.919 ± 0.001 Å
b	5.9148 ± 0.0002 Å
c	26.2477 ± 0.0009 Å
α	90°
β	107.283 ± 0.004°
γ	90°
Cell volume	3842.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1475
Weighted residual factors for all reflections included in the refinement	0.1507
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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