Crystallography Open Database

Information card for entry 7201990

7201989 << 7201990 >> 7201991

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Coordinates	7201990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H51 Br2 N2
Calculated formula	C45 H51 Br2 N2
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	23.6556 ± 0.0003 Å
b	13.9795 ± 0.0002 Å
c	24.5246 ± 0.0003 Å
α	90°
β	94.197 ± 0.001°
γ	90°
Cell volume	8088.38 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.0957
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1425
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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