Information card for entry 1504751

Structure parameters

• Formula: C18 H21 N O3
• Calculated formula: C18 H21 N O3
• SMILES: O1COc2cc3c(cc12)[C@H]1[C@@]2(N(CC3)CCC2)C[C@H]2[C@]1(C)O2
• Title of publication: A formal synthesis of (-)-cephalotaxine.
• Authors of publication: Esmieu, William R.; Worden, Stephen M.; Catterick, David; Wilson, Claire; Hayes, Christopher J.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 14
• Pages of publication: 3045 - 3048
• a: 7.6125 ± 0.0007 Å
• b: 8.1308 ± 0.0007 Å
• c: 12.5485 ± 0.0011 Å
• α: 90°
• β: 105.841 ± 0.002°
• γ: 90°
• Cell volume: 747.2 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0345
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0936
• 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: No