Information card for entry 4032388

Structure parameters

• Formula: C34 H32 N4 O4
• Calculated formula: C34 H32 N4 O4
• SMILES: O=C1N(C)C(=O)[C@@H]2[C@@H](C(=C3[C@H]([C@@H](C([C@H](c4ccc(C#N)cc4)C3)(C#N)C#N)C)[C@H]12)C(=O)OCC)CCc1ccccc1.O=C1N(C)C(=O)[C@H]2[C@H](C(=C3[C@@H]([C@H](C([C@@H](c4ccc(C#N)cc4)C3)(C#N)C#N)C)[C@@H]12)C(=O)OCC)CCc1ccccc1
• 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: 11.2044 ± 0.0007 Å
• b: 11.5815 ± 0.0006 Å
• c: 12.9947 ± 0.0008 Å
• α: 75.244 ± 0.005°
• β: 88.54 ± 0.005°
• γ: 67.453 ± 0.005°
• Cell volume: 1501.06 ± 0.17 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1073
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2712
• Weighted residual factors for all reflections included in the refinement: 0.2972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No