Information card for entry 7204169

Structure parameters

• Formula: C21.5 H29 B2 N2 O2.5
• Calculated formula: C21.5 H29 B2 N2 O2.5
• Title of publication: A borazaaromatic analogue of isophthalic acid
• Authors of publication: Ashton, Peter R.; Harris, Kenneth D. M.; Kariuki, Benson M.; Philp, Douglas; Robinson, James M. A.; Spencer, Neil
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 11
• Pages of publication: 2166
• a: 16.598 ± 0.002 Å
• b: 11.127 ± 0.0012 Å
• c: 24.24 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4476.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections: 0.1337
• Weighted residual factors for significantly intense reflections: 0.128
• Goodness-of-fit parameter for all reflections: 1.108
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No