Information card for entry 1573065

Structure parameters

• Formula: C18 H21 I O5
• Calculated formula: C18 H21 I O5
• SMILES: Ic1c(C=O)ccc(c1O[C@H]1CCCC=C1CC(=O)OCC)OC
• 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: 13.1948 ± 0.0003 Å
• b: 4.7605 ± 0.0001 Å
• c: 14.5444 ± 0.0004 Å
• α: 90°
• β: 102.504 ± 0.003°
• γ: 90°
• Cell volume: 891.92 ± 0.04 ų
• Cell temperature: 99.98 ± 0.11 K
• Ambient diffraction temperature: 99.98 ± 0.11 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: 0.0323
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No