Information card for entry 7717160

Structure parameters

• Formula: C49 H45 B F15 N2 O8 P
• Calculated formula: C49 H45 B F15 N2 O8 P
• Title of publication: Accessing five- and seven-membered phosphorus-based heterocycles <i>via</i> cycloaddition reactions of azophosphines.
• Authors of publication: Calder, Ethan D. E.; Male, Louise; Jupp, Andrew R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 36
• Pages of publication: 15032 - 15039
• a: 12.6836 ± 0.0004 Å
• b: 14.3392 ± 0.0005 Å
• c: 15.9046 ± 0.0005 Å
• α: 112.034 ± 0.003°
• β: 97.787 ± 0.003°
• γ: 107.389 ± 0.003°
• Cell volume: 2456.51 ± 0.17 ų
• Cell temperature: 119.99 ± 0.1 K
• Ambient diffraction temperature: 119.99 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No