Information card for entry 4023761

Structure parameters

• Formula: C9 H13 N O3
• Calculated formula: C9 H13 N O3
• SMILES: C1CC[C@@]23N1C(=O)O[C@@H]2[C@H](CC3)O
• Title of publication: A Second Generation Formal Synthesis of (-)-Cephalotaxine
• Authors of publication: Abdul Hameed; Alexander J. Blake; Christopher J. Hayes
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 8045 - 8048
• a: 5.5997 ± 0.0006 Å
• b: 11.7922 ± 0.0013 Å
• c: 13.075 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 863.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No