Information card for entry 7212384

Structure parameters

• Formula: C18 H16 O3
• Calculated formula: C18 H16 O3
• SMILES: O=C(O)[C@](OC)(C)c1c2ccccc2c2ccccc2c1
• Title of publication: Crystal conformations and molecular packing of (S)-2-methoxy-2-(9-phenanthryl)propanoic acid and a diastereomeric amide prepared from (R)-2-methoxy-2-(1-naphthyl)propanoic acid
• Authors of publication: Ichikawa, Akio; Ono, Hiroshi; Takenaka, Makiko; Mikata, Yuji
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2261
• a: 7.3882 ± 0.0009 Å
• b: 12.1092 ± 0.0016 Å
• c: 16.307 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1458.9 ± 0.3 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No