Information card for entry 4026394

Structure parameters

• Formula: C15 H19 N O2
• Calculated formula: C15 H19 N O2
• SMILES: C1(=O)[C@@H](C)[C@@H]2c3ccn4CCCC[C@@H](c34)C[C@@H]2O1
• Title of publication: Synthesis of the Stenine Ring System from Pyrrole
• Authors of publication: Roderick W. Bates; S. Sridhar
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 5026 - 5035
• a: 8.6101 ± 0.0003 Å
• b: 11.18 ± 0.0005 Å
• c: 13.0969 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1260.72 ± 0.09 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No