Information card for entry 7131571

Structure parameters

• Formula: C36 H25 N O2
• Calculated formula: C36 H25 N O2
• SMILES: O=C(C1=C(c2ccccc2)c2c(C31Nc1c(Oc4c3cccc4)cccc1)cccc2)/C=C/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: 10.6943 ± 0.0005 Å
• b: 11.3031 ± 0.0006 Å
• c: 12.5505 ± 0.0006 Å
• α: 70.572 ± 0.001°
• β: 89.851 ± 0.001°
• γ: 66.309 ± 0.001°
• Cell volume: 1294.96 ± 0.11 ų
• Cell temperature: 101 K
• Ambient diffraction temperature: 101 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: 0.0495
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No