Information card for entry 7154716

Structure parameters

• Chemical name: methyl 3-(morpholino(phenyl)methyl)-2-phenylindolizine-1-carboxylate
• Formula: C27 H26 N2 O3
• Calculated formula: C27 H26 N2 O3
• SMILES: O=C(OC)c1c(c(n2ccccc12)C(N1CCOCC1)c1ccccc1)c1ccccc1
• Title of publication: C3 functionalization of indolizines via In(iii)-catalyzed three-component reaction.
• Authors of publication: Jung, Youngeun; Kim, Ikyon
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 45
• Pages of publication: 10986 - 10994
• a: 10.2728 ± 0.0012 Å
• b: 10.8678 ± 0.0013 Å
• c: 11.397 ± 0.0013 Å
• α: 110.392 ± 0.005°
• β: 108.076 ± 0.005°
• γ: 91.105 ± 0.005°
• Cell volume: 1122.1 ± 0.2 ų
• Cell temperature: 301.5 K
• Ambient diffraction temperature: 301.5 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: 0.0787
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No