Information card for entry 7125415

Structure parameters

• Formula: C33 H36 N8 O15
• Calculated formula: C33 H36 N8 O15
• 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: 13.38177 ± 0.00008 Å
• b: 13.38177 ± 0.00008 Å
• c: 21.7501 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3894.83 ± 0.05 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 133
• Hermann-Mauguin space group symbol: P 42/n b c :2
• Hall space group symbol: -P 4ac 2b
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2398
• Weighted residual factors for all reflections included in the refinement: 0.2466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No