Information card for entry 4507010

Structure parameters

• Formula: C20 H28 N2 O5
• Calculated formula: C20 H28 N2 O5
• Title of publication: Supramolecular Synthon Transferability and Gelation by Diprimary Ammonium Monocarboxylate Salts
• Authors of publication: Das, Uttam Kumar; Puranik, Vedavati G.; Dastidar, Parthasarathi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 5864
• a: 13.5398 ± 0.0006 Å
• b: 7.1069 ± 0.0003 Å
• c: 22.1324 ± 0.0009 Å
• α: 90°
• β: 104.977 ± 0.002°
• γ: 90°
• Cell volume: 2057.37 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No