Information card for entry 1534100

Structure parameters

• Formula: C65 H65 N4 O5 P
• Calculated formula: C65 H65 N4 O5 P
• SMILES: P12(=NC([C@@H]3OC(O[C@H]3C(N1)(c1ccccc1)c1ccccc1)(C)C)(c1ccccc1)c1ccccc1)NC([C@@H]1OC(O[C@H]1C(N2)(c1ccccc1)c1ccccc1)(C)C)(c1ccccc1)c1ccccc1.O=C(C)C
• Title of publication: Design of Highly Stable Iminophosphoranes as Recyclable Organocatalysts: Application to Asymmetric Chlorinations of Oxindoles.
• Authors of publication: Gao, Xing; Han, Jianwei; Wang, Limin
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 4596 - 4599
• a: 12.0658 ± 0.001 Å
• b: 17.7295 ± 0.0013 Å
• c: 13.2309 ± 0.001 Å
• α: 90°
• β: 104.155 ± 0.002°
• γ: 90°
• Cell volume: 2744.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No