Information card for entry 7125414

Structure parameters

• Formula: C33 H44 N8 O4
• Calculated formula: C33 H44 N8 O4
• Title of publication: A three dimensional hydrogen bonded organic framework assembled through antielectrostatic hydrogen bonds.
• Authors of publication: Cullen, Duncan A.; Gardiner, Michael G.; White, Nicholas G.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 80
• Pages of publication: 12020 - 12023
• a: 14.5333 ± 0.000016 Å
• b: 14.5333 ± 0.000016 Å
• c: 7.83602 ± 0.000013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1655.1 ± 0.004 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections: 0.1348
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0161
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No