Information card for entry 7111096

Structure parameters

• Formula: C14 H19 N O2
• Calculated formula: C14 H19 N O2
• SMILES: [C@@H]1(CC[C@H]1C(=O)N[C@@H](CO)c1ccccc1)C
• Title of publication: (1R,2S)-(+)-cis-1-Methoxycarbonyl-2-methylcyclobutane
• Authors of publication: Alexander, Jacob S.; Baldwin, John E.; Burrell, Richard C.; Ruhlandt-Senge, Karin
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 2201
• a: 9.4318 ± 0.0002 Å
• b: 9.4318 ± 0.0002 Å
• c: 27.989 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2489.87 ± 0.1 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No