Information card for entry 7156097

Structure parameters

• Formula: C31 H50 N4 O9
• Calculated formula: C31 H50 N4 O9
• Title of publication: Understanding the conformational analysis of gababutin based hybrid peptides.
• Authors of publication: Konda, Maruthi; Jadhav, Rohit G.; Maiti, Sayan; Mobin, Shaikh M.; Kauffmann, Brice; Das, Apurba K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 1728 - 1735
• a: 10.958 ± 0.002 Å
• b: 16.851 ± 0.003 Å
• c: 18.872 ± 0.004 Å
• α: 90°
• β: 101.84 ± 0.03°
• γ: 90°
• Cell volume: 3410.6 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0367
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No