Information card for entry 7156409

Structure parameters

• Formula: C30 H35 N O2
• Calculated formula: C30 H35 N O2
• Title of publication: The [4 + 2] cyclization/retro-Mannich reaction cascade of para-quinone methide derivatives with Pd-containing 1,4-dipoles.
• Authors of publication: Jiang, Xiao-Li; Wu, Shu-Fang; Wang, Jin-Rong; Lu, Han; Mei, Guang-Jian; Shi, Feng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 8395 - 8402
• a: 10.229 ± 0.013 Å
• b: 10.292 ± 0.013 Å
• c: 12.452 ± 0.016 Å
• α: 88.979 ± 0.015°
• β: 78.134 ± 0.014°
• γ: 86.738 ± 0.014°
• Cell volume: 1281 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No