Information card for entry 7131574

Structure parameters

• Formula: C30 H29 Cl N O Rh
• Calculated formula: C30 H29 Cl N O Rh
• SMILES: c12ccccc1C1c3cccc(C)c3Oc3c(cccc3)[N]=1[Rh]13452([c]2([c]1([c]3([c]4([c]52C)C)C)C)C)Cl
• 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: 15.3583 ± 0.001 Å
• b: 13.3106 ± 0.0009 Å
• c: 23.5375 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4811.7 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No