Information card for entry 2207225

Structure parameters

• Common name: 12-Methoxy-15-(4-morpholino)podocarpa-8,11,13-trien-15-one
• Chemical name: (6-methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1- yl)morpholin-4-yl-methanone
• Formula: C22 H31 N O3
• Calculated formula: C22 H31 N O3
• SMILES: O=C(N1CCOCC1)[C@@]1(CCC[C@@]2([C@@H]1CCc1c2cc(OC)cc1)C)C
• Title of publication: 12-Methoxy-15-(4-morpholino)podocarpa-8,11,13-trien-15-one
• Authors of publication: Bakare, Oladapo; John, Nicole; Butcher, Ray J.; Zalkow, Leon H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3791 - o3793
• a: 14.4202 ± 0.0014 Å
• b: 7.1619 ± 0.0007 Å
• c: 18.5166 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1912.3 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes