Crystallography Open Database

Information card for entry 2005841

2005840 << 2005841 >> 2005842

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Coordinates	2005841.cif
Original IUCr paper	HTML

Structure parameters

Formula	C8 H10 Br2
Calculated formula	C8 H10 Br2
SMILES	BrC1=CCCC(=CCC1)Br
Title of publication	1,5-Dibromocycloocta-1,5-diene
Authors of publication	Dávila, A.; McLaughlin, M. L.; Fronczek, F. R.; Watkins, S. F.
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	1
Pages of publication	84 - 86
a	18.8917 ± 0.0008 Å
b	4.6858 ± 0.0003 Å
c	12.7916 ± 0.0008 Å
α	90°
β	127.95 ± 0.01°
γ	90°
Cell volume	892.91 ± 0.15 Å³
Cell temperature	298 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.038
Goodness-of-fit parameter for significantly intense reflections	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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