Information card for entry 4032384

Structure parameters

• Formula: C36 H32 N2 O6
• Calculated formula: C36 H32 N2 O6
• SMILES: O=C1N(c2ccccc2)C(=O)[C@@H]2CC3=C([C@@H](c4ccccc4)[C@@H]4[C@H]([C@H]3[C@@H]([C@H]12)C)C(=O)N(c1ccccc1)C4=O)C(=O)OCC.O=C1N(c2ccccc2)C(=O)[C@H]2CC3=C([C@H](c4ccccc4)[C@H]4[C@@H]([C@@H]3[C@H]([C@@H]12)C)C(=O)N(c1ccccc1)C4=O)C(=O)OCC
• Title of publication: Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.
• Authors of publication: Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 7
• Pages of publication: 3648 - 3658
• a: 19.5031 ± 0.0003 Å
• b: 16.6971 ± 0.0002 Å
• c: 20.1118 ± 0.0003 Å
• α: 90°
• β: 109.923 ± 0.0018°
• γ: 90°
• Cell volume: 6157.33 ± 0.17 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.2583
• Weighted residual factors for all reflections included in the refinement: 0.2693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No