Information card for entry 7135054

Structure parameters

• Formula: C12 H11.5 Cl N1.5 O1.5
• Calculated formula: C11 H9.5 N1.5 O1.5
• Title of publication: Ruthenium(II)-catalyzed C-2 alkenylation of indole with olefins <i>via</i> a quinazolin-4(3<i>H</i>)-one directing group: a platform for selective fluorescent anion sensors.
• Authors of publication: Thakur, Rekha; Luxami, Vijay; Paul, Kamaldeep
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 75
• Pages of publication: 14374 - 14377
• a: 9.0938 ± 0.0005 Å
• b: 11.5029 ± 0.0012 Å
• c: 12.1234 ± 0.0008 Å
• α: 111.969 ± 0.008°
• β: 98.763 ± 0.005°
• γ: 94.676 ± 0.006°
• Cell volume: 1149 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1149
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.2078
• Weighted residual factors for all reflections included in the refinement: 0.2514
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No