Information card for entry 7126941

Structure parameters

• Formula: C29 H37 N3 O6
• Calculated formula: C29 H37 N3 O6
• SMILES: O1/C(=C(\N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2ccccc2)C(N(C1=O)Cc1ccccc1)(C)C
• Title of publication: Stereoselective amination via vinyl-silver intermediates derived from silver-catalyzed carboxylative cyclization of propargylamine.
• Authors of publication: Sadamitsu, Yuta; Saito, Kodai; Yamada, Tohru
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 66
• Pages of publication: 9517 - 9520
• a: 9.8916 ± 0.0008 Å
• b: 10.1278 ± 0.0008 Å
• c: 14.6801 ± 0.001 Å
• α: 90°
• β: 98.829 ± 0.003°
• γ: 90°
• Cell volume: 1453.23 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.347
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No