Information card for entry 7121213

Structure parameters

• Formula: C75 H95 Cl9 N12 O32.5
• Calculated formula: C75 H95 Cl9 N12 O32.5
• Title of publication: Cooperative 5- and 10-membered ring interactions in the 10-helix folding of oxetin homo-oligomers.
• Authors of publication: Ragab, Sherif S.; Kassir, Ahmad F.; Guillot, Régis; Scherrmann, Marie-Christine; Boddaert, Thomas; Aitken, David J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 1968 - 1971
• a: 13.7293 ± 0.0009 Å
• b: 20.0802 ± 0.0014 Å
• c: 16.8259 ± 0.0011 Å
• α: 90°
• β: 101.186 ± 0.003°
• γ: 90°
• Cell volume: 4550.6 ± 0.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2252
• Weighted residual factors for all reflections included in the refinement: 0.2316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No