Information card for entry 2227750

Structure parameters

• Chemical name: 4-{[1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,7,8,9,10,10a- dodecahydrophenanthren-1-yl]carbonyl}morpholine
• Formula: C24 H39 N O2
• Calculated formula: C24 H39 N O2
• SMILES: O1CCN(CC1)C(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1=C2CC[C@H](C1)C(C)C
• Title of publication: <i>N</i>-Morpholino-Δ^8^-dihydroabietamide
• Authors of publication: Rao, Xiao-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2725
• a: 7.8683 ± 0.0016 Å
• b: 11.036 ± 0.002 Å
• c: 24.726 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2147.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.374
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes