Information card for entry 4504797

Structure parameters

• Formula: C28 H55 N O2
• Calculated formula: C28 H55 N O2
• Title of publication: Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D
• Authors of publication: Trivedi, Darshak R.; Dastidar, Parthasarathi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 1022
• a: 5.594 ± 0.006 Å
• b: 11.015 ± 0.013 Å
• c: 23.69 ± 0.03 Å
• α: 96.13 ± 0.02°
• β: 90.55 ± 0.02°
• γ: 99.05 ± 0.03°
• Cell volume: 1433 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2098
• Residual factor for significantly intense reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.2411
• Weighted residual factors for all reflections included in the refinement: 0.3031
• Goodness-of-fit parameter for all reflections included in the refinement: 0.816
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No