Information card for entry 4065659

Structure parameters

• Formula: C24 H23 F3 N O5 P S
• Calculated formula: C24 H23 F3 N O5 P S
• SMILES: C[P+]1(c2ccccc2)[C@@H]2C(=C(C)[C@H]1[C@@H]1[C@H]2C(=O)N(C1=O)c1ccccc1)C.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: 7-Phosphanorbornenium Borohydrides: A Powerful Route to Functional Secondary Phosphine−Borane Complexes
• Authors of publication: Tian, Rongqiang; Mathey, François
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 8
• Pages of publication: 1873
• a: 7.6328 ± 0.0003 Å
• b: 7.6138 ± 0.0003 Å
• c: 21.2288 ± 0.0008 Å
• α: 90°
• β: 93.837 ± 0.001°
• γ: 90°
• Cell volume: 1230.94 ± 0.08 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No