Information card for entry 7244898

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: 10.574 ± 0.0006 Å
• b: 10.9521 ± 0.0007 Å
• c: 11.457 ± 0.0008 Å
• α: 109.58 ± 0.002°
• β: 98.665 ± 0.002°
• γ: 117.163 ± 0.002°
• Cell volume: 1036.68 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No