Information card for entry 7235293

Structure parameters

• Formula: C40 H32 N4 O3 S
• Calculated formula: C40 H32 N4 O3 S
• Title of publication: A novel synthesis of tetra and pentacyclic quinolinopyran tethered pyrazole/coumarin scaffolds via a solid state melt reaction
• Authors of publication: Bakthadoss, Manickam; Kannan, Damodharan
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 23
• Pages of publication: 11723
• a: 9.6865 ± 0.0002 Å
• b: 9.0575 ± 0.0003 Å
• c: 38.51 ± 0.001 Å
• α: 90°
• β: 92.175 ± 0.002°
• γ: 90°
• Cell volume: 3376.26 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No