Information card for entry 7248267

Structure parameters

• Formula: C45 H72 N8 O8
• Calculated formula: C45 H72 N8 O8
• Title of publication: Crystal structure analysis of helix–turn–helix type motifs in α,γ-hybrid peptides
• Authors of publication: Nalawade, Sachin A.; Kumar, Mothukuri Ganesh; Puneeth Kumar, DRGKoppalu R.; Singh, Manjeet; Dey, Sanjit; Gopi, Hosahudya N.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 913 - 917
• a: 17.73 ± 0.1 Å
• b: 10.52 ± 0.06 Å
• c: 28.85 ± 0.16 Å
• α: 90°
• β: 99.42 ± 0.08°
• γ: 90°
• Cell volume: 5309 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2139
• Residual factor for significantly intense reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.2415
• Weighted residual factors for all reflections included in the refinement: 0.2902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No