Information card for entry 7706849

Structure parameters

• Common name: phenyl 6-chloro-5-[2-chloro-6-(phenoxycarbonyl)phenyl]-5H- benzo[b]phosphindole-1-carboxylate
• Chemical name: phenyl 6-chloro-5-[2-chloro-6-(phenoxycarbonyl)phenyl]-5H- benzo[b]phosphindole-1-carboxylate
• Formula: C32 H19 Cl2 O4 P
• Calculated formula: C32 H19 Cl2 O4 P
• SMILES: Clc1c2P(c3cccc(C(=O)Oc4ccccc4)c3c2ccc1)c1c(Cl)cccc1C(=O)Oc1ccccc1
• Title of publication: Sterically hindered ortho-substituted phosphatriptycenes as configurationally stable P-chirogenic triarylphosphines.
• Authors of publication: Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Collard, Laurent; Robiette, Raphaël; Berionni, Guillaume
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 14
• Pages of publication: 4772 - 4777
• a: 8.7704 ± 0.0004 Å
• b: 9.6774 ± 0.0003 Å
• c: 16.3912 ± 0.0004 Å
• α: 106.886 ± 0.003°
• β: 96.369 ± 0.003°
• γ: 92.054 ± 0.003°
• Cell volume: 1319.61 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No