Information card for entry 7109065

Structure parameters

• Formula: C30 H28 N2 O2
• Calculated formula: C30 H28 N2 O2
• SMILES: n12c([C@H](c3ccccc3)[C@@H](C(=O)OCC)[C@@H]2c2c3c([nH]c2C)cccc3)c(c2c1cccc2)C.n12c([C@@H](c3ccccc3)[C@H](C(=O)OCC)[C@H]2c2c3c([nH]c2C)cccc3)c(c2c1cccc2)C
• Title of publication: Cu(OTf)2 catalysed [6+2] cycloaddition reaction for the synthesis of highly substituted pyrrolo[1,2-a]indoles: rapid
• Authors of publication: Dattatraya H. Dethe; Raghavender Boda; Saikat Das
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3260
• a: 11.4304 ± 0.0007 Å
• b: 12.7197 ± 0.0007 Å
• c: 16.8479 ± 0.0008 Å
• α: 90°
• β: 96.853 ± 0.005°
• γ: 90°
• Cell volume: 2432 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No