Information card for entry 7131573

Structure parameters

• Formula: C34 H23 N O2
• Calculated formula: C34 H23 N O2
• SMILES: O=C(c1ccccc1)C1=C(c2c(C31Nc1c(Oc4c3cccc4)cccc1)cccc2)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: 8.8451 ± 0.0002 Å
• b: 11.9809 ± 0.0003 Å
• c: 13.3608 ± 0.0003 Å
• α: 65.259 ± 0.001°
• β: 74.789 ± 0.001°
• γ: 73.152 ± 0.001°
• Cell volume: 1214.4 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No