Information card for entry 7131356

Structure parameters

• Formula: C22 H19 N O5
• Calculated formula: C22 H19 N O5
• Title of publication: Pd-Catalyzed intermolecular asymmetric allylic dearomatization of 1-nitro-2-naphthols with MBH adducts.
• Authors of publication: Zhang, Qing-Xia; Xie, Jia-Hao; Gu, Qing; You, Shu-Li
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 24
• Pages of publication: 3590 - 3593
• a: 8.0113 ± 0.0001 Å
• b: 13.9038 ± 0.0002 Å
• c: 8.5163 ± 0.0002 Å
• α: 90°
• β: 90.38 ± 0.001°
• γ: 90°
• Cell volume: 948.59 ± 0.03 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No