Information card for entry 7717161

Structure parameters

• Formula: C54 H56 B F15 N2 O8 P
• Calculated formula: C54 H56 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: 45.26149 ± 0.00017 Å
• b: 14.39164 ± 0.00005 Å
• c: 18.01887 ± 0.00008 Å
• α: 90°
• β: 101.458 ± 0.0004°
• γ: 90°
• Cell volume: 11503.3 ± 0.08 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No