Information card for entry 7151195

Structure parameters

• Formula: C30 H30 N2 O4
• Calculated formula: C30 H30 N2 O4
• SMILES: O=C(OCC)N(NC(=O)OCC)[C@H]1C(=C(c2ccccc2)c2ccccc2)C=C[C@@H]1c1ccccc1.O=C(OCC)N(NC(=O)OCC)[C@@H]1C(=C(c2ccccc2)c2ccccc2)C=C[C@H]1c1ccccc1
• Title of publication: Iodine assisted palladium catalyzed ring opening of bicyclic hydrazines with organoboronic acids: stereoselective synthesis of functionalized cyclopentenes and alkylidene cyclopentenes.
• Authors of publication: Anas, S.; John, Jubi; Sajisha, V. S.; John, Joshni; Rajan, Rani; Suresh, E.; Radhakrishnan, K. V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 24
• Pages of publication: 4010 - 4019
• a: 8.401 ± 0.002 Å
• b: 10.368 ± 0.003 Å
• c: 15.647 ± 0.004 Å
• α: 95.41 ± 0.004°
• β: 95.198 ± 0.006°
• γ: 102.676 ± 0.005°
• Cell volume: 1315 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.193
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.2136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No