Information card for entry 4068786

Structure parameters

• Formula: C19 H18 O
• Calculated formula: C19 H18 O
• SMILES: O([C@@]1(c2ccccc2[C@H](C1)C#C)c1ccccc1)CC.O([C@]1(c2ccccc2[C@@H](C1)C#C)c1ccccc1)CC
• Title of publication: Ruthenium-Catalyzed Oxypropargylation of Alkenes
• Authors of publication: Yamauchi, Yoshihiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 48
• a: 17.7398 ± 0.0016 Å
• b: 8.0134 ± 0.0008 Å
• c: 19.901 ± 0.0019 Å
• α: 90°
• β: 148.54 ± 0.003°
• γ: 90°
• Cell volume: 1476.5 ± 0.3 ų
• Cell temperature: 173.1 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: 0.0477
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No