Information card for entry 7131570

Structure parameters

• Formula: C35 H25 N O
• Calculated formula: C35 H25 N O
• SMILES: O=C(C1=C(c2ccccc2)c2c(cccc2)[C@@]21Nc1c(cccc1)Cc1ccccc21)c1ccccc1
• Title of publication: Synthesis of indene-fused spiro-dibenz(ox)azepines <i>via</i> Rh(III)-catalyzed cascade regioselective C-H activation/annulation.
• Authors of publication: Naskar, Koushik; Karmakar, Sudip; Mondal, Imtiaj; Sarkar, Writhabrata; Roy, Shantonu; Roy, Anupam; Deb, Indubhusan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 50
• Pages of publication: 7751 - 7754
• a: 9.8267 ± 0.0012 Å
• b: 9.9692 ± 0.0011 Å
• c: 24.995 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2448.6 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No