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Information card for entry 1507115
Preview
Coordinates | 1507115.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H19 Br4 N2 O2 |
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Calculated formula | C27 H20 Br4 N2 O2 |
SMILES | BrC(=C1[C@H](O)[C@@H](C=CC1=C(Br)Br)c1ccc(OC)cc1)Br.c12nc3c(cccc3)nc1cccc2.BrC(=C1[C@@H](O)[C@H](C=CC1=C(Br)Br)c1ccc(OC)cc1)Br.c12nc3c(cccc3)nc1cccc2 |
Title of publication | Tetrabromobutatriene: completing the perhalocumulene series. |
Authors of publication | Liu, Pei-Hua; Li, Lei; Webb, Jeffrey A.; Zhang, Yi; Goroff, Nancy S. |
Journal of publication | Organic letters |
Year of publication | 2004 |
Journal volume | 6 |
Journal issue | 13 |
Pages of publication | 2081 - 2083 |
a | 8.6234 ± 0.001 Å |
b | 12.866 ± 0.0015 Å |
c | 13.3868 ± 0.0016 Å |
α | 71.469 ± 0.002° |
β | 74.489 ± 0.002° |
γ | 71.885 ± 0.002° |
Cell volume | 1314.8 ± 0.3 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1098 |
Residual factor for significantly intense reflections | 0.0969 |
Weighted residual factors for significantly intense reflections | 0.2294 |
Weighted residual factors for all reflections included in the refinement | 0.2455 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
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/1507115.html
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