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Information card for entry 2011254
Preview
Coordinates | 2011254.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | (6R)-6-(3'β-acetoxy-5'-androsten-17'β-yl)-2-phenyl- 5,6-dihydro-4H-[1,3]oxazine |
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Formula | C31 H41 N O3 |
Calculated formula | C31 H41 N O3 |
SMILES | CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2[C@H]2CCN=C(O2)c2ccccc2)C)C1)C |
Title of publication | A steroidal phenyldihydro-1,3-oxazine derivative |
Authors of publication | Hewitt, Manuel; Schneider, Thomas R.; Szemerédi, Zsuzsanna; Hajnal, Andrea; Wölfling, Janos; Schneider, Gyula |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2000 |
Journal volume | 56 |
Journal issue | 8 |
Pages of publication | e363 - e364 |
a | 9.438 ± 0.002 Å |
b | 8.529 ± 0.002 Å |
c | 16.503 ± 0.003 Å |
α | 90° |
β | 98.38 ± 0.03° |
γ | 90° |
Cell volume | 1314.3 ± 0.5 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.042 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for all reflections included in the refinement | 0.083 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/2011254.html
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