Information card for entry 7235557

Structure parameters

• Formula: C33 H24 Br N6 O7 S
• Calculated formula: C33 H19 Br N6 O7 S
• Title of publication: InCl3-mediated eco-friendly three-component domino reaction for synthesis of highly functionalized triazolylspiroxindolinopyrans and triazolylpyrans under solvent-free conditions
• Authors of publication: Kamalraja, Jayabal; Murugasan, Potharaj; Perumal, Paramasivan Thirumalai
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 37
• Pages of publication: 19422
• a: 10.8072 ± 0.0007 Å
• b: 12.1025 ± 0.0008 Å
• c: 14.9454 ± 0.001 Å
• α: 112.022 ± 0.006°
• β: 97.279 ± 0.005°
• γ: 90.57 ± 0.005°
• Cell volume: 1794 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.169
• Residual factor for significantly intense reflections: 0.1154
• Weighted residual factors for significantly intense reflections: 0.3396
• Weighted residual factors for all reflections included in the refinement: 0.375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.324
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No