Crystallography Open Database

Information card for entry 7104204

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Coordinates	7104204.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H8 Br Cl
Calculated formula	C8 H8 Br Cl
Title of publication	The generation and trapping of enantiopure bromonium ions.
Authors of publication	Braddock, D Christopher; Hermitage, Stephen A; Kwok, Lilian; Pouwer, Rebecca; Redmond, Joanna M; White, Andrew J P
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2009
Journal volume	34
Journal issue	9
Pages of publication	1082 - 1084
a	15.6605 ± 0.0004 Å
b	19.4998 ± 0.0005 Å
c	5.49619 ± 0.00011 Å
α	90°
β	90°
γ	90°
Cell volume	1678.41 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1011
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.087
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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