Information card for entry 7158285

Structure parameters

• Formula: C H Cl N O S
• Calculated formula: C4.75 H2.75 N0.25 O0.5 S0.25
• Title of publication: Sodium sulphide promoted synthesis of fused quinoline at room temperature.
• Authors of publication: Singh, Rashmi; Sharma, Vishal Prasad; Yadav, Priyanka; Sonker, Priyanka; Singh, Radhey Mohan; Tewari, Ashish Kumar
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 37
• Pages of publication: 8108 - 8112
• a: 7.0134 ± 0.0004 Å
• b: 7.0858 ± 0.0005 Å
• c: 15.5319 ± 0.001 Å
• α: 96.28 ± 0.004°
• β: 90.168 ± 0.004°
• γ: 104.398 ± 0.004°
• Cell volume: 742.77 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No