Information card for entry 7154348

Structure parameters

• Formula: C30 H31 N3 O5
• Calculated formula: C30 H31 N3 O5
• SMILES: C(=O)(c1cc(ccc1)N(=O)=O)N(C1CCCCC1)C(=O)C1c2c(CCN1c1ccc(cc1)OC)cccc2
• Title of publication: Visible light mediated sp(3) C-H bond functionalization of N-aryl-1,2,3,4-tetrahydroisoquinolines via Ugi-type three-component reaction.
• Authors of publication: Chen, Yunyun; Feng, Gaofeng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 14
• Pages of publication: 4260 - 4265
• a: 14.183 ± 0.003 Å
• b: 11.422 ± 0.002 Å
• c: 17.031 ± 0.003 Å
• α: 90°
• β: 111.93 ± 0.03°
• γ: 90°
• Cell volume: 2559.4 ± 1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1549
• Residual factor for significantly intense reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.2368
• Weighted residual factors for all reflections included in the refinement: 0.3344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No