Information card for entry 7238567

Structure parameters

• Chemical name: 10-(4-phenyldiazenyl)-3-(3-phenyl)-1-methyl-3,5a,6,11b- tetrahydro-5H-benzopyrano[4',3'-4,5]pyrano[2,3-c]- pyrazole chloroform solvate
• Formula: C27 H23 Cl3 N4 O2
• Calculated formula: C27 H23 Cl3 N4 O2
• Title of publication: Catalyst-and solvent-free one-pot synthesis of some novel polyheterocycles from aryldiazenyl salicylaldehyde derivatives
• Authors of publication: Parmar, Narsidas J.; Patel, Rikin A.; Teraiya, Shashikant B.; Sharma, Deepak; Gupta, Vivek K.
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 7
• Pages of publication: 3069
• a: 8.0866 ± 0.0003 Å
• b: 12.1875 ± 0.0006 Å
• c: 13.9665 ± 0.0007 Å
• α: 83.079 ± 0.004°
• β: 80.504 ± 0.004°
• γ: 74.566 ± 0.004°
• Cell volume: 1304.4 ± 0.11 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: 0.088
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No