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Information card for entry 7027064
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Coordinates | 7027064.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2,3,7,8,12,13-Hexabromo-17,18-diethyl- 5,10,15,20-tetraphenylporphyrin |
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Formula | C50 H36 Br6 Cl4 N4 |
Calculated formula | C50 H36 Br6 Cl4 N4 |
Title of publication | Non-planar porphyrins with mixed substituent pattern: bromination and formylation of ethyl-substituted tetraphenylporphyrins and tetraalkylporphyrins |
Authors of publication | Senge, Mathias O.; Gerstung, Vanessa; Ruhlandt-Senge, Karin; Runge, Steffen; Lehmann, Ingo |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1998 |
Journal issue | 24 |
Pages of publication | 4187 |
a | 13.299 ± 0.003 Å |
b | 17.047 ± 0.004 Å |
c | 22.967 ± 0.005 Å |
α | 100.051 ± 0.018° |
β | 90.482 ± 0.019° |
γ | 106.561 ± 0.017° |
Cell volume | 4905 ± 2 Å3 |
Cell temperature | 129 ± 2 K |
Ambient diffraction temperature | 129 ± 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 | 0.0913 |
Residual factor for significantly intense reflections | 0.0602 |
Weighted residual factors for significantly intense reflections | 0.1386 |
Weighted residual factors for all reflections included in the refinement | 0.1557 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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