Information card for entry 1547912

Structure parameters

• Common name: 71452-7
• Chemical name: gene726
• Formula: C23 H23 Cl O
• Calculated formula: C23 H23 Cl O
• SMILES: [C@]([C@H](CC)c1ccccc1C)(c1ccc(cc1)Cl)(c1ccccc1)O.[C@@]([C@@H](CC)c1ccccc1C)(c1ccc(cc1)Cl)(c1ccccc1)O
• Title of publication: Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.
• Authors of publication: Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 22
• Pages of publication: 6212 - 6215
• a: 6.4515 ± 0.0003 Å
• b: 17.1888 ± 0.0008 Å
• c: 18.0877 ± 0.0008 Å
• α: 68.737 ± 0.001°
• β: 87.418 ± 0.001°
• γ: 89.422 ± 0.001°
• Cell volume: 1867.33 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No