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Information card for entry 1515151
Preview
Coordinates | 1515151.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H16 Br2 O8 |
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Calculated formula | C32 H16 Br2 O8 |
SMILES | Brc1cocc1c1cocc1c1cocc1c1cocc1c1cocc1c1cocc1c1cocc1c1cocc1Br |
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 | 13.3084 ± 0.0003 Å |
b | 6.8541 ± 0.0002 Å |
c | 29.076 ± 0.0008 Å |
α | 90° |
β | 93.477 ± 0.0011° |
γ | 90° |
Cell volume | 2647.35 ± 0.12 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 | 0.0973 |
Residual factor for significantly intense reflections | 0.0848 |
Weighted residual factors for all reflections | 0.1756 |
Weighted residual factors for significantly intense reflections | 0.1725 |
Weighted residual factors for all reflections included in the refinement | 0.1756 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0211 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1515151.html
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Users of the data should acknowledge the original authors of the
structural data.