Information card for entry 7150010

Structure parameters

• Formula: C13 H23 N O
• Calculated formula: C13 H23 N O
• SMILES: N12[C@@H]3CC(O)(C)C[C@@H]1CCCC2CCC3.N12[C@H]3CC(O)(C)C[C@H]1CCCC2CCC3
• Title of publication: Combining two-directional synthesis and tandem reactions: an efficient strategy for the total syntheses of (+/-)-hippodamine and (+/-)-epi-hippodamine.
• Authors of publication: Rejzek, Martin; Stockman, Robert A.; Hughes, David L.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 73 - 83
• a: 9.766 ± 0.003 Å
• b: 9.337 ± 0.002 Å
• c: 13.7672 ± 0.0017 Å
• α: 90°
• β: 102.381 ± 0.017°
• γ: 90°
• Cell volume: 1226.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No