Information card for entry 7056390

Structure parameters

• Formula: C69 H85 N4 O14.5
• Calculated formula: C69 H85 N4 O14.5
• Title of publication: Characterization of aggregated morphologies derived from mono- and bis-arylbenzamides – potential alpha-helix mimetics
• Authors of publication: Kulikov, Oleg V.; Sevryugina, Yulia V.; Mehmood, Arshad; Saraogi, Ishu
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 7417 - 7423
• a: 10.0873 ± 0.0013 Å
• b: 16.344 ± 0.002 Å
• c: 41.016 ± 0.005 Å
• α: 80.339 ± 0.004°
• β: 83.426 ± 0.004°
• γ: 72.997 ± 0.004°
• Cell volume: 6359.5 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.126
• Residual factor for significantly intense reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.2567
• Weighted residual factors for all reflections included in the refinement: 0.2745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No