Information card for entry 7128405

Structure parameters

• Formula: C17 H19 N O4
• Calculated formula: C17 H19 N O4
• SMILES: N(C(C)C)C(=O)[C@@]1(O)[C@H](O)[C@H]2C(=O)c3ccccc3[C@H]2C=C1
• Title of publication: Palladium-catalyzed stereoselective domino arylation-acylation: an entry to chiral tetrahydrofluorenone scaffolds.
• Authors of publication: Dunås, Petter; Paterson, Andrew J.; Kociok-Köhn, Gabriele; Rahm, Martin; Lewis, Simon E.; Kann, Nina
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 53
• Pages of publication: 6518 - 6521
• a: 11.0439 ± 0.0003 Å
• b: 5.6164 ± 0.0002 Å
• c: 12.2401 ± 0.0003 Å
• α: 90°
• β: 97.184 ± 0.002°
• γ: 90°
• Cell volume: 753.26 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.036
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No