Information card for entry 4514984

Structure parameters

• Formula: C48 H33 N3 O9
• Calculated formula: C48 H33 N3 O9
• SMILES: c1cc(ccc1N1[C@@H]2[C@H]([C@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@@H]1c1ccc(cc1)N(=O)=O)[C@H](C1=C(c3ccccc3C1=O)O2)c1ccc(cc1)N(=O)=O)OC.c1cc(ccc1N1[C@H]2[C@@H]([C@@H](c3ccccc3)C3(C(=O)c4ccccc4C3=O)[C@H]1c1ccc(cc1)N(=O)=O)[C@@H](C1=C(c3ccccc3C1=O)O2)c1ccc(cc1)N(=O)=O)OC
• Title of publication: Construction of Dispiro-Indenone Scaffolds via Domino Cycloaddition Reactions of α,β-Unsaturated Aldimines with 2-Arylidene-1,3-indenediones and 2,2'-(Arylmethylene)bis(1,3-indenediones).
• Authors of publication: Yang, Wen-Juan; Fang, Hui-Lin; Sun, Jing; Yan, Chao-Guo
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 13553 - 13569
• a: 21.259 ± 0.003 Å
• b: 9.2263 ± 0.0014 Å
• c: 23.706 ± 0.003 Å
• α: 90°
• β: 112.936 ± 0.005°
• γ: 90°
• Cell volume: 4282.1 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2723
• Residual factor for significantly intense reflections: 0.108
• Weighted residual factors for significantly intense reflections: 0.2646
• Weighted residual factors for all reflections included in the refinement: 0.3113
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No