Information card for entry 1573064

Structure parameters

• Formula: C17 H19 N O4
• Calculated formula: C17 H19 N O4
• SMILES: O1c2c3[C@]4(C=C[C@@H](O)C[C@@H]14)CC(=O)N(Cc3ccc2OC)C.O1c2c3[C@@]4(C=C[C@H](O)C[C@H]14)CC(=O)N(Cc3ccc2OC)C
• Title of publication: Total synthesis of atropodiastereomers of heterodimeric <i>Amaryllidaceae</i> alkaloids: narcipavline and narcikachnine.
• Authors of publication: Pal, Souvik; Majumder, Satyajit; Niyogi, Sovan; Shyamal, Pranay; Mondal, Debabrata; Das, Bishnu; Bisai, Alakesh
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 47
• Pages of publication: 19851 - 19857
• a: 9.7354 ± 0.0002 Å
• b: 15.3138 ± 0.0002 Å
• c: 9.9359 ± 0.0002 Å
• α: 90°
• β: 105.393 ± 0.002°
• γ: 90°
• Cell volume: 1428.17 ± 0.05 ų
• Cell temperature: 100.01 ± 0.15 K
• Ambient diffraction temperature: 100.01 ± 0.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No