Information card for entry 2208342

Structure parameters

• Common name: 12-Methoxy-15-(4-pyrrolidin-1-yl)podocarpa-8,11,13-trien-15-one
• Chemical name: 3-Methoxy-4b,8-dimethyl-8-(4-pyrrolidin-1-ylcarbonyl)- 4b,5,6,7,8,8a,9,10-octahydrophenanthrene
• Formula: C22 H31 N O2
• Calculated formula: C22 H31 N O2
• SMILES: O=C(N1CCCC1)[C@]1(CCC[C@]2([C@H]1CCc1c2cc(OC)cc1)C)C
• Title of publication: 12-Methoxy-15-(1-pyrrolidino)podocarpa-8,11,13-triene-15-one
• Authors of publication: Butcher, Ray J.; Bakare, Oladapo; John, Nicole J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o945 - o947
• a: 9.2758 ± 0.0018 Å
• b: 14.886 ± 0.003 Å
• c: 13.785 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1903.4 ± 0.7 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: 0.0426
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes