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Information card for entry 1545811
Preview
Coordinates | 1545811.cif |
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Original paper (by DOI) | HTML |
Formula | C43 H49 N5 O4 |
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Calculated formula | C43 H49 N5 O4 |
Title of publication | Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence |
Authors of publication | Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. |
Journal of publication | IUCrJ |
Year of publication | 2016 |
Journal volume | 3 |
Journal issue | 2 |
Pages of publication | 96 - 101 |
a | 7.409 ± 0.01 Å |
b | 8.781 ± 0.011 Å |
c | 15.36 ± 0.019 Å |
α | 81.63 ± 0.03° |
β | 86.57 ± 0.03° |
γ | 78.64 ± 0.02° |
Cell volume | 969 ± 2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1435 |
Residual factor for significantly intense reflections | 0.0803 |
Weighted residual factors for significantly intense reflections | 0.1939 |
Weighted residual factors for all reflections included in the refinement | 0.2501 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
195745 (current) | 2017-04-25 | cif/ Adding structures of 1545809, 1545810, 1545811, 1545812, 1545813, 1545814, 1545815, 1545816, 1545817, 1545818, 1545819, 1545820, 1545821, 1545822, 1545823, 1545824, 1545825, 1545826, 1545827, 1545828, 1545829 via cif-deposit CGI script. |
1545811.cif |
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Users of the data should acknowledge the original authors of the
structural data.