Crystallography Open Database

Information card for entry 2006037

2006036 << 2006037 >> 2006038

Preview

Coordinates	2006037.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	8.814 ± 0.006 Å
b	9.992 ± 0.009 Å
c	19.774 ± 0.018 Å
α	90°
β	91.6 ± 0.07°
γ	90°
Cell volume	1741 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0635
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for all reflections	0.0711
Weighted residual factors for significantly intense reflections	0.0653
Goodness-of-fit parameter for all reflections	1.09
Goodness-of-fit parameter for significantly intense reflections	1.12
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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