Information card for entry 4034244

Structure parameters

• Formula: C40 H62 N2 O6 Si
• Calculated formula: C40 H62 N2 O6 Si
• SMILES: [Si](O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@@H]1O[C@]3(N(CCCC3)C(=O)OCc3ccc(N(=O)=O)cc3)[C@H]([C@H]21)C)C)C)(C)(C)C(C)(C)C
• Title of publication: Access to 27-Nortomatidine and 27-Norsoladulcidine Derivatives.
• Authors of publication: Czajkowska-Szczykowska, Dorota; Corona Díaz, Alejandro; Aleksiejczuk, Grzegorz; López Castro, Yliana; Morzycki, Jacek W.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 7
• Pages of publication: 4104 - 4111
• a: 6.5581 ± 0.0001 Å
• b: 7.3707 ± 0.0001 Å
• c: 39.7747 ± 0.0009 Å
• α: 90°
• β: 91.298 ± 0.002°
• γ: 90°
• Cell volume: 1922.13 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No