Information card for entry 1534099

Structure parameters

• Formula: C62 H60 Cl N4 O4 P
• Calculated formula: C62 H60 Cl N4 O4 P
• SMILES: [P+]12(NC([C@H]3[C@H](C(N1)(c1ccccc1)c1ccccc1)OC(C)(C)O3)(c1ccccc1)c1ccccc1)NC([C@H]1[C@H](C(N2)(c2ccccc2)c2ccccc2)OC(C)(C)O1)(c1ccccc1)c1ccccc1.[Cl-]
• 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: 13.9954 ± 0.0019 Å
• b: 19.389 ± 0.003 Å
• c: 14.02 ± 0.002 Å
• α: 90°
• β: 115.309 ± 0.002°
• γ: 90°
• Cell volume: 3439.3 ± 0.9 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2341
• Weighted residual factors for all reflections included in the refinement: 0.2495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No