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Information card for entry 7113083
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Coordinates | 7113083.cif |
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Original paper (by DOI) | HTML |
Common name | monofusedrubyrin |
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Formula | C64 H52 N2 S5 |
Calculated formula | C64 H52 N2 S5 |
Title of publication | Fused core-modified meso-aryl expanded porphyrins. |
Authors of publication | Chandrashekar, T. K.; Prabhuraja, V.; Gokulnath, S.; Sabarinathan, R.; Srinivasan, A. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 32 |
Pages of publication | 5915 - 5917 |
a | 14.623 ± 0.003 Å |
b | 15.092 ± 0.003 Å |
c | 15.929 ± 0.003 Å |
α | 90° |
β | 114.98 ± 0.03° |
γ | 90° |
Cell volume | 3186.5 ± 1.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0948 |
Residual factor for significantly intense reflections | 0.0843 |
Weighted residual factors for significantly intense reflections | 0.1933 |
Weighted residual factors for all reflections included in the refinement | 0.2006 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180244 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/30. |
7113083.cif |
112246 | 2014-04-30 | cif/ Adding structures of 7113083, 7113084, 7113085 via cif-deposit CGI script. |
7113083.cif |
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Users of the data should acknowledge the original authors of the
structural data.