Information card for entry 1551532

Structure parameters

• Formula: C60 H94 Cl2 N12 O11
• Calculated formula: C60 H94 Cl2 N12 O11
• Title of publication: Crystal Structure of Gramicidin S Hydrochloride at 1.1 Å Resolution
• Authors of publication: ASANO, Akiko; DOI, Mitsunobu
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2019
• Journal volume: 35
• Journal issue: 0
• Pages of publication: 1
• a: 34.9877 ± 0.0014 Å
• b: 23.3809 ± 0.0014 Å
• c: 18.8662 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15433.4 ± 1.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1793
• Residual factor for significantly intense reflections: 0.165
• Weighted residual factors for significantly intense reflections: 0.4007
• Weighted residual factors for all reflections included in the refinement: 0.4081
• Goodness-of-fit parameter for all reflections included in the refinement: 2.756
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No