Information card for entry 4504793

Structure parameters

• Formula: C36 H70 N2 O5
• Calculated formula: C36 H70 N2 O5
• 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: 19.321 ± 0.003 Å
• b: 8.6155 ± 0.0014 Å
• c: 23.943 ± 0.004 Å
• α: 90°
• β: 110.416 ± 0.003°
• γ: 90°
• Cell volume: 3735.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No