Information card for entry 7156216

Structure parameters

• Formula: C29 H26 N2 O5
• Calculated formula: C29 H26 N2 O5
• Title of publication: Catalyst-free [3 + 2] cyclization of dihydroisoquinoline imines and isatin-derived Morita-Baylis-Hillman carbonates via 1,5-electrocyclization: synthesis of tetrahydroisoquinoline-fused spirooxindoles.
• Authors of publication: Tang, Xue; Gao, Ying-Juan; Deng, Hui-Qing; Lei, Jin-Ju; Liu, Si-Wei; Zhou, Lin; Shi, Yin; Liang, Hao; Qiao, Jie; Guo, Li; Han, Bo; Cui, Hai-Lei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 3362 - 3366
• a: 9.05 ± 0.004 Å
• b: 10.2 ± 0.004 Å
• c: 27.541 ± 0.011 Å
• α: 89.877 ± 0.006°
• β: 93.866 ± 0.006°
• γ: 111.112 ± 0.005°
• Cell volume: 2365.6 ± 1.7 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.1443
• Residual factor for significantly intense reflections: 0.1072
• Weighted residual factors for significantly intense reflections: 0.278
• Weighted residual factors for all reflections included in the refinement: 0.2967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No