Information card for entry 7247387

Structure parameters

• Formula: C27 H20 N2 O6
• Calculated formula: C27 H20 N2 O6
• Title of publication: Multicomponent reaction (MCR) for constructing bis-spirocyclohexane skeletons using β-nitrostyrene derived MBH acetates, 1,3-indanedione and aldehydes via [1 + 1 + 1 + 3] annulation
• Authors of publication: Gudise, Veera Babu; Anwar, Shaik
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 39
• Pages of publication: 27456 - 27460
• a: 8.0225 ± 0.0006 Å
• b: 10.0191 ± 0.0006 Å
• c: 14.8134 ± 0.001 Å
• α: 77.743 ± 0.003°
• β: 83.426 ± 0.004°
• γ: 81.286 ± 0.003°
• Cell volume: 1145.92 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No