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Information card for entry 1505519
Preview
Coordinates | 1505519.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H18 Br6 |
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Calculated formula | C38 H18 Br6 |
SMILES | Brc1ccc2c(C34C(c5c2ccc(Br)c5)(c2c(c5c3cc(Br)cc5)ccc(Br)c2)c2c(c3c4cc(Br)cc3)ccc(Br)c2)c1 |
Title of publication | Hexabenzo[4.4.4]propellane: a helical molecular platform for the construction of electroactive materials. |
Authors of publication | Debroy, Paromita; Lindeman, Sergey V.; Rathore, Rajendra |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 21 |
Pages of publication | 4091 - 4094 |
a | 11.0746 ± 0.0003 Å |
b | 35.7942 ± 0.0008 Å |
c | 16.0263 ± 0.0004 Å |
α | 90° |
β | 96.306 ± 0.001° |
γ | 90° |
Cell volume | 6314.5 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1221 |
Residual factor for significantly intense reflections | 0.0735 |
Weighted residual factors for significantly intense reflections | 0.18 |
Weighted residual factors for all reflections included in the refinement | 0.1954 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/1505519.html
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