Information card for entry 7110677

Structure parameters

• Formula: C57.63 H52.63 B4 N4 O6
• Calculated formula: C57.768 H52.792 B4 N4 O6
• Title of publication: Covalent self-assembly of a dimeric borazaaromatic macrocycle†
• Authors of publication: Comina, Paul J.; Philp, Douglas; Kariuki, Benson M.; Harris, Kenneth D. M.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 22
• Pages of publication: 2279
• a: 23.12 ± 0.005 Å
• b: 16.007 ± 0.003 Å
• c: 32.068 ± 0.008 Å
• α: 90°
• β: 111.177 ± 0.004°
• γ: 90°
• Cell volume: 11066 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1827
• Residual factor for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections: 0.291
• Weighted residual factors for significantly intense reflections: 0.2386
• Goodness-of-fit parameter for all reflections: 0.938
• Goodness-of-fit parameter for significantly intense reflections: 1.25
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No