Information card for entry 2210795

Structure parameters

• Common name: 15-(4-Chlorobenzylamino)-2-methoxypodocarpa-8,11,13-trien-15-one
• Chemical name: N-(4-chlorobenzyl)-6-methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a- octahydrophenanthrene-1-carboxamide
• Formula: C25 H30 Cl N O2
• Calculated formula: C25 H30 Cl N O2
• SMILES: Clc1ccc(CNC(=O)[C@]2(CCC[C@]3([C@H]2CCc2c3cc(OC)cc2)C)C)cc1
• Title of publication: 15-(4-Chlorobenzylamino)-2-methoxypodocarpa-8,11,13-trien-15-one
• Authors of publication: John, Nicole; Butcher, Raymond J.; Bakare, Oladapo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4361 - o4363
• a: 9.8466 ± 0.0011 Å
• b: 10.2147 ± 0.001 Å
• c: 10.8492 ± 0.0012 Å
• α: 84.224 ± 0.002°
• β: 80.232 ± 0.002°
• γ: 82.956 ± 0.002°
• Cell volume: 1063.7 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes