Information card for entry 4026062

Structure parameters

• Formula: C44.17 H76.45 N11 O14.15
• Calculated formula: C44.156 H76.428 N11 O14.136
• Title of publication: Stapling of a 310-Helix with Click Chemistry
• Authors of publication: Øyvind Jacobsen; Hiroaki Maekawa; Nien-Hui Ge; Carl Henrik Görbitz; Pål Rongved; Ole Petter Ottersen; Mahmood Amiry-Moghaddam; Jo Klaveness
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 1228 - 1238
• a: 16.239 ± 0.012 Å
• b: 18.236 ± 0.014 Å
• c: 18.655 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5524 ± 7 ų
• Cell temperature: 111 ± 2 K
• Ambient diffraction temperature: 111 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.3574
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No