Crystallography Open Database

Information card for entry 1515155

Preview

Coordinates	1515155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H12 Br2 O6
Calculated formula	C24 H12 Br2 O6
SMILES	Brc1cocc1c1cocc1c1cocc1c1cocc1c1cocc1c1cocc1Br
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	6.9255 ± 0.0007 Å
b	7.3969 ± 0.0007 Å
c	11.6514 ± 0.0011 Å
α	72.785 ± 0.005°
β	78.03 ± 0.006°
γ	63.603 ± 0.005°
Cell volume	508.68 ± 0.09 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.097
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for all reflections	0.1586
Weighted residual factors for significantly intense reflections	0.1409
Weighted residual factors for all reflections included in the refinement	0.1586
Goodness-of-fit parameter for all reflections included in the refinement	1.0534
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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