Information card for entry 7158749

Structure parameters

• Chemical name: 5-Ethanoyl-10-(4-methylphenyl)-5H-dibenzo[b,f]azepine
• Formula: C23 H19 N O
• Calculated formula: C23 H19 N O
• Title of publication: A new approach to 10-arylated 5<i>H</i>-dibenzo[<i>b</i>,<i>f</i>]azepines using <i>syn</i>-selective hydrohalogenation of ethynylaniline.
• Authors of publication: Iwai, Kento; Mukaijo, Yusuke; Asahara, Haruyasu; Nishiwaki, Nagatoshi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 28
• Pages of publication: 5543 - 5550
• a: 15.5398 ± 0.0005 Å
• b: 8.6572 ± 0.0002 Å
• c: 13.0504 ± 0.0004 Å
• α: 90°
• β: 99.779 ± 0.003°
• γ: 90°
• Cell volume: 1730.18 ± 0.09 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No