Information card for entry 7244899

Structure parameters

• Formula: C21 H24 N2 O5
• Calculated formula: C21 H24 N2 O5
• Title of publication: Versatility in self-assembly and morphology of non-coded anthranilic acid and phenylglycine based dipeptide stereoisomers
• Authors of publication: Dolai, Gobinda; Giri, Rajat Subhra; Mandal, Bhubaneswar
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 9.967 ± 0.007 Å
• b: 10.881 ± 0.008 Å
• c: 9.994 ± 0.007 Å
• α: 90°
• β: 105.28 ± 0.02°
• γ: 90°
• Cell volume: 1045.5 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No