Information card for entry 7126942

Structure parameters

• Formula: C26 H39 N3 O7
• Calculated formula: C26 H39 N3 O7
• SMILES: O1/C(=C(\N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2ccc(OC)cc2)C(N(C1=O)CCC)(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: 9.6147 ± 0.0002 Å
• b: 12.4662 ± 0.0003 Å
• c: 12.8127 ± 0.0003 Å
• α: 92.315 ± 0.001°
• β: 106.443 ± 0.001°
• γ: 104.289 ± 0.001°
• Cell volume: 1417.26 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.119
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2259
• Weighted residual factors for all reflections included in the refinement: 0.262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.449
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No