Information card for entry 4020012

Structure parameters

• Formula: C32 H34 N2 O2
• Calculated formula: C32 H33.33 N2 O2
• Title of publication: The Total Synthesis of Epoxyquinols A, B, C and RKB-3564D and the Reactivity of a 2H-Pyran Derivative as the Diene Component in the Diels-Alder Reaction
• Authors of publication: Shoji, Mitsuru; Imai, Hiroki; Mukaida, Makoto; Sakai, Ken; Kakeya, Hideaki; Osada, Hiroyuki; Ayashi, Yujiro
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 79 - 91
• a: 19.3269 ± 0.0009 Å
• b: 13.4544 ± 0.0007 Å
• c: 19.8413 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5159.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No