Information card for entry 7217296

Structure parameters

• Formula: C36 H36 N2 O7 S2
• Calculated formula: C36 H36 N2 O7 S2
• SMILES: S(=O)(C)C.OC(=O)c1ccc(N2C(=O)C3(C4=C(c5ccccc5C4=O)Nc4c3cccc4)C3=C2CC(CC3=O)(C)C)cc1.CS(C)=O
• Title of publication: Multicomponent, one-pot and expeditous synthesis of highly substituted new spiro[indolo-3,10´-indeno[1,2-b]quinolin]-2,4,11´-triones under micellar catalytic effect of CTAB in water
• Authors of publication: Mondal, Animesh; Brown, Mike; Mukhopadhyay, Chhanda
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 9.944 ± 0.0006 Å
• b: 11.9081 ± 0.0007 Å
• c: 15.8436 ± 0.001 Å
• α: 93.39 ± 0.002°
• β: 103.796 ± 0.002°
• γ: 110.449 ± 0.002°
• Cell volume: 1686.12 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1143
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.3346
• Weighted residual factors for all reflections included in the refinement: 0.3596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.53
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No