Information card for entry 4504838

Structure parameters

• Formula: C35 H60 N2 O5
• Calculated formula: C35 H60 N2 O5
• Title of publication: Ascertaining the 1D Hydrogen-Bonded Network in Organic Ionic Solids
• Authors of publication: Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 4
• Pages of publication: 1545
• a: 8.9399 ± 0.0007 Å
• b: 19.3683 ± 0.0015 Å
• c: 20.2739 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3510.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No