Information card for entry 2215913

Structure parameters

• Common name: 12-Methoxy-15-(pyridin-3-ylmethylamino)podocarpa-8,11,13-trien-15-one
• Chemical name: 6-methoxy-1,4a-dimethyl-N-(3-pyridylmethyl)-1,2,3,4,4a,9,10,10a- octahydrophenanthrene-1-carboxamide
• Formula: C24 H30 N2 O2
• Calculated formula: C24 H30 N2 O2
• SMILES: O=C(NCc1cnccc1)[C@@]1(CCC[C@@]2([C@@H]1CCc1c2cc(OC)cc1)C)C
• Title of publication: 12-Methoxy-15-(pyridin-3-ylmethylamino)podocarpa-8,11,13-trien-15-one
• Authors of publication: Mouamba, Claudia; Butcher, Raymond J.; Bakare, Oladapo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4350 - o4350
• a: 7.0164 ± 0.0004 Å
• b: 7.9267 ± 0.0004 Å
• c: 18.5843 ± 0.0011 Å
• α: 90°
• β: 90.871 ± 0.006°
• γ: 90°
• Cell volume: 1033.48 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0324
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes