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Information card for entry 7037537
Preview
Coordinates | 7037537.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H38 B N5 O5 |
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Calculated formula | C34 H38 B N5 O5 |
SMILES | O(Cc1cc(cc(c1)N(=O)=O)N(=O)=O)[B]12[n]3c4=Cc5n1c(C=c1n2c(c(c1CC)CC)=Cc3c(c4CC)CC)c(c5CC)CC |
Title of publication | Hexaethylsubporphyrins: β-alkyl analogues in the subporphyrin family. |
Authors of publication | Chandra, Brijesh; Sathish Kumar, B.; Mondal, Navendu; Samanta, Anunay; Panda, Pradeepta K. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 46 |
Pages of publication | 19966 - 19973 |
a | 8.399 ± 0.0015 Å |
b | 15.411 ± 0.003 Å |
c | 15.432 ± 0.003 Å |
α | 65.46 ± 0.016° |
β | 81.857 ± 0.015° |
γ | 82.675 ± 0.015° |
Cell volume | 1793.5 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.2917 |
Residual factor for significantly intense reflections | 0.122 |
Weighted residual factors for significantly intense reflections | 0.3024 |
Weighted residual factors for all reflections included in the refinement | 0.3918 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.75 |
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/7037537.html
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Users of the data should acknowledge the original authors of the
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