Information card for entry 7232003

Structure parameters

• Formula: C15 H18 N4 O4 S
• Calculated formula: C15 H18 N4 O4 S
• Title of publication: Microwave irradiation: a green approach for the synthesis of functionalized N-methyl-1,4-dihydropyridines
• Authors of publication: Khan, M. Musawwer; Saigal, Saigal; Khan, Sarfaraz; Shareef, Sumbulunnisan; Sahoo, Subash C.
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 73
• Pages of publication: 41892
• a: 7.3596 ± 0.0003 Å
• b: 9.2464 ± 0.0006 Å
• c: 14.1726 ± 0.0005 Å
• α: 104.253 ± 0.004°
• β: 90.749 ± 0.003°
• γ: 111.461 ± 0.005°
• Cell volume: 864.24 ± 0.08 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0618
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0504
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No