Information card for entry 7108636

Structure parameters

• Formula: C44.5 H45 B Cl2 F10 N3 P
• Calculated formula: C44.5 H45 B Cl2 F10 N3 P
• Title of publication: Anomalous Staudinger reaction at intramolecular frustrated P-B Lewis pair frameworks
• Authors of publication: Annika Stute; Lukas Heletta; Roland Frohlich; Constantin G. Daniliuc; Gerald Kehr; Gerhard Erker
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11739
• a: 10.3617 ± 0.0001 Å
• b: 12.6512 ± 0.0001 Å
• c: 19.2962 ± 0.0002 Å
• α: 78.926 ± 0.001°
• β: 84.773 ± 0.001°
• γ: 74.64 ± 0.001°
• Cell volume: 2391.57 ± 0.04 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.077
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No