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Information card for entry 7216928
Preview
Coordinates | 7216928.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H38 N2 O2 |
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Calculated formula | C35 H38 N2 O2 |
SMILES | O(c1c(C(c2[nH]ccc2)c2[nH]ccc2)c(O[C@@H](c2ccccc2)CCC)ccc1)[C@@H](c1ccccc1)CCC |
Title of publication | The synthesis and spectroscopic characterisation of chiral meso-tetraarylmetalloporphyrins bearing meso-pentafluorophenyl groups |
Authors of publication | Foxon, Simon P.; Lindsay Smith, John R.; O’Brien, Peter; Reginato, Gloriana |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 2001 |
Journal issue | 7 |
Pages of publication | 1145 |
a | 14.101 ± 0.005 Å |
b | 23.237 ± 0.005 Å |
c | 8.945 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2931 ± 1.6 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.2722 |
Residual factor for significantly intense reflections | 0.0545 |
Weighted residual factors for significantly intense reflections | 0.0953 |
Weighted residual factors for all reflections included in the refinement | 0.153 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7216928.html
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