Information card for entry 4034414

Structure parameters

• Formula: C40 H55 N O2.5 P
• Calculated formula: C40 H55 N O2.5 P
• SMILES: P(=O)(c1c2c(ccc1)CC[C@@]12NC(=O)CC1)(c1cc(cc(C(C)(C)C)c1)C(C)(C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C.O
• 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: 10.3937 ± 0.0002 Å
• b: 18.5331 ± 0.0003 Å
• c: 38.2687 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7371.6 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 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: 0.0513
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No