Information card for entry 7109953

Structure parameters

• Formula: C23 H25 F3 N2 O3
• Calculated formula: C23 H25 F3 N2 O3
• Title of publication: Asymmetric ring-opening of oxabenzonorbornadiene with amines promoted by a chiral iridium-monophosphine catalyst
• Authors of publication: Renshi Luo; Jianhua Liao; Ling Xie; Wenjun Tang; Albert S. C. Chan
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9959
• a: 9.2387 ± 0.0009 Å
• b: 11.4941 ± 0.0011 Å
• c: 11.8575 ± 0.0011 Å
• α: 64.434 ± 0.002°
• β: 69.34 ± 0.002°
• γ: 84.039 ± 0.002°
• Cell volume: 1061.07 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No