Information card for entry 4034415

Structure parameters

• Formula: C24 H22 N O2 P
• Calculated formula: C24 H22 N O2 P
• SMILES: P(=O)(c1cccc2c1[C@@]1(NC(=O)CC1)CC2)(c1ccccc1)c1ccccc1
• Title of publication: Preparation and Application of Amino Phosphine Ligands Bearing Spiro[indane-1,2'-pyrrolidine] Backbone.
• Authors of publication: Li, Shasha; Zhang, Jinxia; Li, Hongjie; Feng, Lifei; Jiao, Peng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 15
• Pages of publication: 9460 - 9473
• a: 8.3691 ± 0.0002 Å
• b: 9.9458 ± 0.0002 Å
• c: 22.7743 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1895.67 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No