Information card for entry 7231834

Structure parameters

• Formula: C26 H33 N3 O6
• Calculated formula: C26 H33 N3 O6
• Title of publication: Unique crystallographic signatures of Boc-Gly-Phe-Phe-OMe and Boc-Gly-Phg-Phe-OMe and their self-association
• Authors of publication: Giri, Rajat Subhra; Mandal, Bhubaneswar
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 2
• Pages of publication: 236
• a: 15.407 ± 0.002 Å
• b: 5.8843 ± 0.0006 Å
• c: 15.664 ± 0.002 Å
• α: 90°
• β: 114.753 ± 0.018°
• γ: 90°
• Cell volume: 1289.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1038
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1949
• Weighted residual factors for all reflections included in the refinement: 0.2202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No