Information card for entry 7114216

Structure parameters

• Formula: C36 H33 N O P
• Calculated formula: C36 H33 N O P
• SMILES: P(c1c([C@H]2OC([C@H]3N2CCC3)(c2ccccc2)c2ccccc2)cccc1)(c1ccccc1)c1ccccc1
• Title of publication: A novel and efficient chiral palladium‒phosphinooxazolidine catalyst for the enantioselective Diels‒Alder reactionElectronic supplementary information (ESI) available: experimental details. See http://www.rsc.org/suppdata/cc/b2/b201625g/
• Authors of publication: Nakano, Hiroto; Okuyama, Yuko; Suzuki, Yuichiro; Fujita, Reiko; Kabuto, Chizuko
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 10
• Pages of publication: 1146
• a: 9.472 ± 0.007 Å
• b: 17 ± 0.01 Å
• c: 18.07 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2910 ± 4 ų
• Cell temperature: 150.2 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 significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 2.81
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No