Information card for entry 7150011

Structure parameters

• Formula: C13 H23 N O
• Calculated formula: C13 H23 N O
• SMILES: N12[C@@H]3CC(C[C@@H]2CCCC1CCC3)CO.N12[C@H]3CC(C[C@H]2CCCC1CCC3)CO
• 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: 7.66 ± 0.002 Å
• b: 14.61 ± 0.003 Å
• c: 10.367 ± 0.002 Å
• α: 90°
• β: 91.13 ± 0.03°
• γ: 90°
• Cell volume: 1160 ± 0.4 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No