Information card for entry 1504951

Structure parameters

• Formula: C18 H26 O3
• Calculated formula: C18 H26 O3
• SMILES: OC([C@]1([C@@H](C1)c1ccccc1)C(=O)OC)(C(C)C)C(C)C.OC([C@@]1([C@H](C1)c1ccccc1)C(=O)OC)(C(C)C)C(C)C
• Title of publication: SmI2-promoted Reformatsky-type reaction and acylation of alkyl 1-chlorocyclopropanecarboxylates.
• Authors of publication: Nagano, Takao; Motoyoshiya, Jiro; Kakehi, Akikazu; Nishii, Yoshinori
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 23
• Pages of publication: 5453 - 5456
• a: 8.10238 ± 0.00015 Å
• b: 12.8053 ± 0.0002 Å
• c: 15.8078 ± 0.0007 Å
• α: 90°
• β: 94.0063 ± 0.0008°
• γ: 90°
• Cell volume: 1636.11 ± 0.08 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No