Information card for entry 7155539

Structure parameters

• Formula: C24 H26 N2 O2
• Calculated formula: C24 H26 N2 O2
• SMILES: O=C1N2C(c3[nH]c4ccccc4c3CC2)(C(=C1)C)Cc1ccccc1.OCC
• Title of publication: A tunable copper-catalyzed multicomponent reaction towards alkaloid-inspired indole/lactam polycycles.
• Authors of publication: Mardjan, M. I. D.; Perie, S.; Parrain, J.-L.; Commeiras, L.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 3304 - 3309
• a: 11.4563 ± 0.0005 Å
• b: 18.7494 ± 0.0008 Å
• c: 9.4799 ± 0.0003 Å
• α: 90°
• β: 90.253 ± 0.003°
• γ: 90°
• Cell volume: 2036.25 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No