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Information card for entry 8101778
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Coordinates | 8101778.cif |
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Chemical name | 3-benzoylmorphin-6-one-17-carboxamide |
---|---|
Formula | C74 H66 N6 O16 |
Calculated formula | C24.6667 H22 N2 O5.33333 |
Title of publication | Crystal structure of 3-benzoylmorphin-6-one-17-carboxamide ethanol solvate (1:0.333), C~24~H~20~N~2~O~5~ · 0.333 C~2~H~5~OH |
Authors of publication | M. Chudik; A. Jegorov; H. Petrickova; B. Kratochvil; I. Cisarova |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2005 |
Journal volume | 220 |
Journal issue | 3 |
Pages of publication | 348 - 350 |
a | 8.196 ± 0.0001 Å |
b | 17.83 ± 0.0004 Å |
c | 41.908 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6124.2 ± 0.2 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0901 |
Residual factor for significantly intense reflections | 0.0659 |
Weighted residual factors for all reflections | 0.0914 |
Weighted residual factors for significantly intense reflections | 0.0731 |
Weighted residual factors for all reflections included in the refinement | 0.0731 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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