Information card for entry 7206209

Structure parameters

• Formula: C22 H25 N O3
• Calculated formula: C22 H25 N O3
• SMILES: O=C([O-])[C@@](OC)(C)c1cccc2ccccc12.[NH3+][C@H](C)c1ccccc1
• Title of publication: Crystal structures and chiral recognition of the diastereomeric salts prepared from 2-methoxy-2-(1-naphthyl)propanoic acid
• Authors of publication: Ichikawa, Akio; Ono, Hiroshi; Echigo, Takuya; Mikata, Yuji
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 14
• Pages of publication: 4536
• a: 11.3857 ± 0.0009 Å
• b: 6.7698 ± 0.0003 Å
• c: 12.7237 ± 0.0009 Å
• α: 90°
• β: 103.73 ± 0.003°
• γ: 90°
• Cell volume: 952.7 ± 0.11 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No