Crystallography Open Database

Information card for entry 2006038

2006037 << 2006038 >> 2006039

Preview

Coordinates	2006038.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Meso-1,1'-diphenyl-2,2,2',2'-tetrachlorobicyclopropyl
Formula	C18 H14 Cl4
Calculated formula	C18 H14 Cl4
SMILES	ClC1(Cl)[C@](C1)([C@]1(C(Cl)(Cl)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	14.119 ± 0.005 Å
b	11.617 ± 0.004 Å
c	41.81 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	6858 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for all reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0361
Goodness-of-fit parameter for all reflections	1.06
Goodness-of-fit parameter for significantly intense reflections	1.65
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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