Information card for entry 7150638

Structure parameters

• Formula: C20 H23 N O3
• Calculated formula: C20 H23 N O3
• SMILES: C1=CCC[C@@]23[C@@H]1[C@H](C(=O)N2CCc1cc(c(cc31)OC)OC)C=C.C1=CCC[C@]23[C@H]1[C@@H](C(=O)N2CCc1cc(c(cc31)OC)OC)C=C
• Title of publication: New approaches for the synthesis of erythrinan alkaloids
• Authors of publication: Zhang, Fengzhi; Simpkins, Nigel S.; Blake, Alexander J.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 1963 - 1979
• a: 9.2919 ± 0.0008 Å
• b: 13.7266 ± 0.0012 Å
• c: 12.8144 ± 0.001 Å
• α: 90°
• β: 92.825 ± 0.002°
• γ: 90°
• Cell volume: 1632.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No