Information card for entry 7157494

Structure parameters

• Formula: C33 H30 Cl N3 O9
• Calculated formula: C33 H30 Cl N3 O9
• Title of publication: Dienaminodioate based multicomponent reactions with post-benzylic oxidative transformations mediated by DDQ.
• Authors of publication: Ravindran, Jaice; Yadhukrishnan, Velickakathu O.; Asha, Reghuvaran S.; Lankalapalli, Ravi S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 20
• Pages of publication: 3927 - 3937
• a: 9.3935 ± 0.0006 Å
• b: 10.3136 ± 0.0007 Å
• c: 17.8351 ± 0.0012 Å
• α: 102.592 ± 0.003°
• β: 95.138 ± 0.004°
• γ: 101.978 ± 0.003°
• Cell volume: 1633.08 ± 0.19 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: 0.0758
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No