Information card for entry 1570544

Structure parameters

• Chemical name: methyl 2-((diphenylmethylene)amino)-3-(1-methylcyclohexyl)-2-(p-tolyl)propanoate
• Formula: C31 H35 N O2
• Calculated formula: C31 H35 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: 9.6712 ± 0.0002 Å
• b: 10.1319 ± 0.0002 Å
• c: 25.4616 ± 0.0004 Å
• α: 90°
• β: 96.565 ± 0.002°
• γ: 90°
• Cell volume: 2478.56 ± 0.08 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: 0.0433
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No