Information card for entry 4504790

Structure parameters

• Formula: C15 H30 N O2.5
• Calculated formula: C15 H30 N O2.5
• 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: 25.776 ± 0.002 Å
• b: 8.4636 ± 0.0007 Å
• c: 18.9116 ± 0.0015 Å
• α: 90°
• β: 131.156 ± 0.001°
• γ: 90°
• Cell volume: 3106.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No