Information card for entry 7132412

Structure parameters

• Formula: C16 H10 N2 O
• Calculated formula: C16 H10 N2 O
• SMILES: O=Cc1c2n(nc3c2cccc3)c2c(c1)cccc2
• Title of publication: Rh(III)-catalyzed oxidative [4+2] annulation of 2-arylquinoxalines and 2-aryl-2<i>H</i>-indazoles with allyl alcohols.
• Authors of publication: Nipate, Dhananjay S.; Meena, Neha; Swami, Prakash N.; Rangan, Krishnan; Kumar, Anil
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 3
• Pages of publication: 344 - 347
• a: 8.0807 ± 0.0002 Å
• b: 11.4488 ± 0.0003 Å
• c: 13.0502 ± 0.0004 Å
• α: 75.453 ± 0.002°
• β: 79.894 ± 0.002°
• γ: 79.458 ± 0.002°
• Cell volume: 1138.21 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No