Information card for entry 7129931

Structure parameters

• Formula: C15 H23 N3 O
• Calculated formula: C15 H23 N3 O
• Title of publication: Ir-catalyzed cyclization of α,ω-dienes with an N-methyl group via two C–H activation steps
• Authors of publication: Tanaka, Katsumasa; Hattori, Hiroshi; Yabe, Ryota; Nishimura, Takahiro
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 15.847 ± 0.003 Å
• b: 15.797 ± 0.003 Å
• c: 23.662 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5923 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0966
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2246
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No