Crystallography Open Database

Information card for entry 1515149

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Coordinates	1515149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H4 Br2 O2
Calculated formula	C8 H4 Br2 O2
SMILES	Brc1cocc1c1cocc1Br
Title of publication	β-Oligofurans
Authors of publication	Fallon, Thomas; Willis, Anthony C.; Rae, A. David; Paddon-Row, Michael N.; Sherburn, Michael S.
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	6
Pages of publication	2133
a	17.3296 ± 0.0006 Å
b	3.8995 ± 0.0001 Å
c	13.8867 ± 0.0005 Å
α	90°
β	114.947 ± 0.002°
γ	90°
Cell volume	850.86 ± 0.05 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0234
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for all reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0225
Weighted residual factors for all reflections included in the refinement	0.0225
Goodness-of-fit parameter for all reflections included in the refinement	1.1356
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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