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Information card for entry 1505353
Preview
Coordinates | 1505353.cif |
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Original paper (by DOI) | HTML |
Formula | C52 H35 Cl2 N5 |
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Calculated formula | C52 H35 Cl2 N5 |
SMILES | c1ccc(cc1)C1=c2ccc(=C(c3ccccc3)c3cnc4c3N=C(n3c(C(=c5nc1cc5)c1ccccc1)ccc3C=4c1ccccc1)c1ccccc1)[nH]2.ClCCl |
Title of publication | Synthesis and isomerization of imino-fused N-confused porphyrin. |
Authors of publication | Kashiwagi, Norimasa; Akeda, Takeshi; Morimoto, Tatsuki; Ishizuka, Tomoya; Furuta, Hiroyuki |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 9 |
Pages of publication | 1733 - 1736 |
a | 14.6224 ± 0.0007 Å |
b | 24.827 ± 0.0012 Å |
c | 11.467 ± 0.0006 Å |
α | 90° |
β | 98.278 ± 0.001° |
γ | 90° |
Cell volume | 4119.5 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.134 |
Residual factor for significantly intense reflections | 0.0877 |
Weighted residual factors for significantly intense reflections | 0.229 |
Weighted residual factors for all reflections included in the refinement | 0.2642 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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