Information card for entry 7132442

Structure parameters

• Chemical name: HOF_C
• Formula: C54 H78 N13 O36
• Calculated formula: C54 H44 N13 O19
• Title of publication: Photoinduced radical formation in hydrogen-bonded organic frameworks.
• Authors of publication: Almuhana, Asia R. Y.; Orton, Georgia R. F.; Rosenberg, Callum; Champness, Neil R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 4
• Pages of publication: 452 - 455
• a: 7.843 ± 0.0004 Å
• b: 19.3052 ± 0.0012 Å
• c: 23.3588 ± 0.0007 Å
• α: 88.568 ± 0.005°
• β: 81.294 ± 0.004°
• γ: 86.534 ± 0.005°
• Cell volume: 3489.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3195
• Residual factor for significantly intense reflections: 0.1372
• Weighted residual factors for significantly intense reflections: 0.3187
• Weighted residual factors for all reflections included in the refinement: 0.3727
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No