Information card for entry 1512212

Structure parameters

• Formula: C19 H24 O3
• Calculated formula: C19 H24 O3
• SMILES: CC(=O)C1(C(=O)CCCC1)C(=C)COc1c(ccc(c1)C)C
• Title of publication: Catalytic decarboxylative alkenylation of enolates.
• Authors of publication: Schröder, Sybrin P; Taylor, Nicholas J.; Jackson, Paula; Franckevičius, Vilius
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 3778 - 3781
• a: 14.603 ± 0.0007 Å
• b: 19.3678 ± 0.0005 Å
• c: 7.3303 ± 0.0004 Å
• α: 90°
• β: 127.998 ± 0.008°
• γ: 90°
• Cell volume: 1633.8 ± 0.2 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No