Information card for entry 7240321

Structure parameters

• Common name: (L)-phenyllactic acid nictonamide
• Chemical name: (S)-2hyrdoxy-3-phenylpropionic acid nicotinamide
• Formula: C15 H16 N2 O4
• Calculated formula: C15 H16 N2 O4
• Title of publication: Invitation to Submit: The Cambridge Structural Database Structural Similarity in Chiral-Achiral Multi-Component Crystals
• Authors of publication: Scowen, Ian J.; Alomar, Taghrid Saad; Munshi, Tasnim; Seaton, Colin Cormack
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 5.304 ± 0.0002 Å
• b: 11.4994 ± 0.0004 Å
• c: 11.748 ± 0.0005 Å
• α: 80.398 ± 0.003°
• β: 81.767 ± 0.003°
• γ: 82.135 ± 0.003°
• Cell volume: 694.52 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No