Information card for entry 1570545

Structure parameters

• Chemical name: methyl 2-((diphenylmethylene)amino)-4,4-dimethyl-2-(p-tolyl)pentanoate
• Formula: C28 H31 N O2
• Calculated formula: C28 H31 N O2
• Title of publication: Photoexcitation of (diarylmethylene)amino benziodoxolones for alkylamination of styrene derivatives with carboxylic acids.
• Authors of publication: Okumatsu, Daichi; Kiyokawa, Kensuke; Bao Nguyen, Linh Tran; Abe, Manabu; Minakata, Satoshi
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 1068 - 1076
• a: 9.0767 ± 0.0001 Å
• b: 10.2335 ± 0.0002 Å
• c: 25.6684 ± 0.0003 Å
• α: 90°
• β: 96.542 ± 0.001°
• γ: 90°
• Cell volume: 2368.72 ± 0.06 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No