Crystallography Open Database

Information card for entry 2006039

2006038 << 2006039 >> 2006040

Preview

Coordinates	2006039.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Meso-1,1'-diphenyl-2,2,2',2'-tetrabromobicyclopropyl
Formula	C18 H14 Br4
Calculated formula	C18 H14 Br4
SMILES	BrC1(Br)[C@](C1)([C@]1(C(Br)(Br)C1)c1ccccc1)c1ccccc1
Title of publication	<i>meso</i>-2,2,2',2'-Tetrachloro-1,1'-diphenyl-1,1'-bicyclopropyl and <i>meso</i>-2,2,2',2'-Tetrabromo-1,1'-diphenyl-1,1'-bicyclopropyl
Authors of publication	Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	4
Pages of publication	499 - 504
a	8.432 ± 0.002 Å
b	9.586 ± 0.002 Å
c	11.187 ± 0.002 Å
α	87.19 ± 0.02°
β	85.51 ± 0.02°
γ	78.87 ± 0.02°
Cell volume	884 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for all reflections	0.0645
Weighted residual factors for significantly intense reflections	0.0547
Goodness-of-fit parameter for all reflections	0.92
Goodness-of-fit parameter for significantly intense reflections	0.77
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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