Information card for entry 7153186

Structure parameters

• Formula: C18 H27 N O S
• Calculated formula: C18 H27 N O S
• SMILES: [C@@H](/C=C/c1ccccc1)(C(C)(C)C=C)NS(=O)C(C)(C)C
• Title of publication: A general protocol to afford enantioenriched linear homoprenylic amines.
• Authors of publication: Bosque, Irene; Foubelo, Francisco; Gonzalez-Gomez, Jose C
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 43
• Pages of publication: 7507 - 7515
• a: 12.208 ± 0.005 Å
• b: 6.102 ± 0.003 Å
• c: 13.056 ± 0.005 Å
• α: 90°
• β: 111.438 ± 0.007°
• γ: 90°
• Cell volume: 905.3 ± 0.7 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No