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Information card for entry 7053192
Preview
Coordinates | 7053192.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H38 N4 O2 |
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Calculated formula | C40 H38 N4 O2 |
SMILES | [nH]1c2=Cc3nc(=C(c4[nH]c(C=c5nc(C(=c1cc2)c1ccc(cc1)O[C@@H](CC)C)cc5)cc4)c1ccc(O[C@@H](CC)C)cc1)cc3 |
Title of publication | Molecular tectonics: chiral 1- and 2-D zinc coordination networks based on chiral porphyrins bearing pyridyl and ethynylpyridyl appended units |
Authors of publication | Marets, N.; Bulach, V.; Hosseini, M. W. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2013 |
Journal volume | 37 |
Journal issue | 11 |
Pages of publication | 3549 |
a | 6.5431 ± 0.0004 Å |
b | 10.6318 ± 0.0006 Å |
c | 12.1564 ± 0.0007 Å |
α | 76.976 ± 0.003° |
β | 74.585 ± 0.003° |
γ | 86.92 ± 0.003° |
Cell volume | 794.25 ± 0.08 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0806 |
Residual factor for significantly intense reflections | 0.057 |
Weighted residual factors for significantly intense reflections | 0.1376 |
Weighted residual factors for all reflections included in the refinement | 0.1524 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 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/7053192.html
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