Information card for entry 4025430

Structure parameters

• Formula: C17 H18 N2 O2
• Calculated formula: C17 H18 N2 O2
• SMILES: C(=O)(c1cc2c(cc1)N1C(c3cccn23)(CCC1)C)OC
• Title of publication: Pt(IV)-Catalyzed Hydroamination Triggered Cyclization: A Strategy to Fused Pyrrolo[1,2-a]quinoxalines, Indolo[1,2-a]quinoxalines, and Indolo[3,2-c]quinolines
• Authors of publication: Nitin T. Patil; Rahul D. Kavthe; Valmik S. Shinde; Balasubramanian Sridhar
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 3371 - 3380
• a: 8.1163 ± 0.0007 Å
• b: 8.4645 ± 0.0007 Å
• c: 11.6804 ± 0.0009 Å
• α: 98.359 ± 0.001°
• β: 101.378 ± 0.001°
• γ: 109.283 ± 0.001°
• Cell volume: 723.07 ± 0.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0459
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No