Information card for entry 4504798

Structure parameters

• Formula: C29 H57 N O2
• Calculated formula: C29 H57 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: 5.642 ± 0.002 Å
• b: 10.995 ± 0.004 Å
• c: 24.187 ± 0.009 Å
• α: 97.788 ± 0.008°
• β: 90.533 ± 0.008°
• γ: 96.485 ± 0.009°
• Cell volume: 1476.6 ± 0.9 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: 0.1513
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No