Information card for entry 7155413

Structure parameters

• Chemical name: N-para-Bromobenzoyl hexa-octahydroindole-2-carboxylic acid amide
• Formula: C61 H81 Br N7 O7
• Calculated formula: C61 H81 Br N7 O7
• Title of publication: Construction of a polyproline structure with hydrophobic exterior using octahydroindole-2-carboxylic acid.
• Authors of publication: Kubyshkin, Vladimir; Budisa, Nediljko
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 619 - 627
• a: 23.5858 ± 0.0012 Å
• b: 19.6801 ± 0.0008 Å
• c: 15.1629 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7038.2 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0995
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1624
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No