Information card for entry 7153520

Structure parameters

• Formula: C21 H28 O5
• Calculated formula: C21 H28 O5
• SMILES: O=C1O[C@@H]([C@@H](OC(=O)O[C@H]2[C@@H](CC[C@H](C2)C)C(C)C)C1)c1ccccc1
• Title of publication: Remarkable effect of tris(4-fluorophenyl)phosphine oxide on the stabilization of chiral lanthanum complex catalysts. A new and practical protocol for the highly enantioselective epoxidation of conjugated enonesElectronic supplementary information (ESI) available: HPLC analysis of 2, 1H NMR data for 3 and 4, and crystal data for 5. See http://www.rsc.org/suppdata/ob/b4/b405882h/
• Authors of publication: Kino, Rie; Daikai, Kazuhiro; Kawanami, Toshio; Furuno, Hiroshi; Inanaga, Junji
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 13
• Pages of publication: 1822 - 1824
• a: 9.685 ± 0.008 Å
• b: 8.592 ± 0.006 Å
• c: 23.185 ± 0.013 Å
• α: 90°
• β: 92.13 ± 0.03°
• γ: 90°
• Cell volume: 1928 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1613
• Residual factor for significantly intense reflections: 0.1203
• Weighted residual factors for significantly intense reflections: 0.2872
• Weighted residual factors for all reflections included in the refinement: 0.3124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No