Information card for entry 4034343

Structure parameters

• Formula: C19 H24 O5
• Calculated formula: C19 H24 O5
• SMILES: C1(=C2C(=C(C[C@@H]3OC(O[C@@](C3=C2)(C(=O)OC)C)(C)C)C)CC1=O)C.C1(=C2C(=C(C[C@H]3OC(O[C@](C3=C2)(C(=O)OC)C)(C)C)C)CC1=O)C
• Title of publication: Ti(II) and Rh(I) Complexes as Reagents toward a Thapsigargin Core.
• Authors of publication: Sanogo, Youssouf; Othman, Raja Ben; Dhambri, Sabrina; Selkti, Mohamed; Jeuken, Alan; Prunet, Joëlle; Férézou, Jean-Pierre; Ardisson, Janick; Lannou, Marie-Isabelle; Sorin, Geoffroy
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 9
• Pages of publication: 5821 - 5830
• a: 8.2249 ± 0.0008 Å
• b: 9.6794 ± 0.0007 Å
• c: 12.1006 ± 0.001 Å
• α: 71.122 ± 0.007°
• β: 84.574 ± 0.007°
• γ: 71.434 ± 0.008°
• Cell volume: 864.06 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No