Information card for entry 7226652

Structure parameters

• Common name: ic17312
• Chemical name: 3f
• Formula: C25 H26 Br2 N2 O7
• Calculated formula: C25 H26 Br2 N2 O7
• Title of publication: Constructing Densely Functionalized Hajos‒Parrish-type Ketones with Six Contiguous Stereogenic Centers and Two Quaternary Carbons in a Formal [2 + 2 + 2] Cycloaddition Cascade
• Authors of publication: Peng, Chieh-Hung; Hong, Bor-Cherng; Raja, Arun; Chang, Chun-Wei; Lee, Gene-Hsiang
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.4202 ± 0.0007 Å
• b: 12.1455 ± 0.0008 Å
• c: 12.5464 ± 0.0008 Å
• α: 61.406 ± 0.0013°
• β: 71.1351 ± 0.0014°
• γ: 78.7175 ± 0.0014°
• Cell volume: 1317.7 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No