Crystallography Open Database

Information card for entry 7201991

7201990 << 7201991 >> 7201992

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Structure parameters

Formula	C29 H20 Br2 N2
Calculated formula	C29 H20 Br2 N2
SMILES	Brc1ccc2c(c1)Cc1c2cc2c(c1)N1CN(C2)c2c(C1)cc1c(c2)Cc2c1ccc(Br)c2
Title of publication	Synthesis, structure and packing properties of three Tröger's base analogues containing substituted fluorene units
Authors of publication	Xin, Qian; Tao, Xu-Tang; Liu, Hui-Jun; Ren, Yan; Jiang, Min-Hua
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	9
Pages of publication	1204
a	20.3845 ± 0.0008 Å
b	9.8302 ± 0.0004 Å
c	11.5556 ± 0.0005 Å
α	90°
β	98.977 ± 0.001°
γ	90°
Cell volume	2287.19 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1035
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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