Information card for entry 2007095

Structure parameters

• Chemical name: 2-Cyclohexyl-16'α,17'α-dihydro-3'-methoxy-4H-estra-1',3',5'(10'),16'- tetraeno[16',17'-e][1,3]oxazine
• Formula: C27 H37 N O2
• Calculated formula: C27 H37 N O2
• SMILES: O(c1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H]1[C@@H]2OC(=NC1)C1CCCCC1)C)C
• Title of publication: A Steroidal Dihydro-1,3-oxazine Derivative
• Authors of publication: Bes, Teresa; Hajnal, Andrea; Schneider, Gyula; Noltemeyer, Mathias
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 372 - 373
• a: 6.781 ± 0.001 Å
• b: 15.53 ± 0.003 Å
• c: 21.179 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2230.3 ± 0.7 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 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: 0.046
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No