Information card for entry 4504836

Structure parameters

• Formula: C76 H112 N4 O8
• Calculated formula: C76 H112 N4 O8
• 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: 15.7571 ± 0.0014 Å
• b: 20.4569 ± 0.0018 Å
• c: 22.128 ± 0.002 Å
• α: 90°
• β: 90.719 ± 0.002°
• γ: 90°
• Cell volume: 7132.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0883
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No