Information card for entry 1505327

Structure parameters

• Formula: C18 H22 Cl2 N2 O
• Calculated formula: C18 H22 Cl2 N2 O
• SMILES: ClCCl.[nH]1c2[C@@H]3C[C@H]4C[C@H](C[C@H]4[C@@H](N3)Cc2c2ccccc12)O
• Title of publication: Concise, enantioselective total synthesis of (-)-alstonerine.
• Authors of publication: Miller, Kenneth A.; Martin, Stephen F.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1113 - 1116
• a: 6.5548 ± 0.0002 Å
• b: 11.6014 ± 0.0004 Å
• c: 22.6301 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1720.9 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0638
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No