Information card for entry 1517395

Structure parameters

• Formula: C27 H22 Cl2 O3
• Calculated formula: C27 H22 Cl2 O3
• SMILES: Clc1ccc([C@H]2[C@]3([C@]4([C@H](c5ccc(Cl)cc5)C4)c4c(cccc4)[C@@H](C2)O3)C(=O)OC)cc1.Clc1ccc([C@@H]2[C@@]3([C@@]4([C@@H](c5ccc(Cl)cc5)C4)c4c(cccc4)[C@H](C2)O3)C(=O)OC)cc1
• Title of publication: Silver-Catalyzed Reaction of Enynals with Alkenes: A Tandem 1,3-Dipolar Cycloaddition/Cyclopropanation.
• Authors of publication: Liang, Renxiao; Ma, Tongmei; Zhu, Shifa
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 4412
• a: 9.881 ± 0.002 Å
• b: 10.831 ± 0.002 Å
• c: 11.457 ± 0.002 Å
• α: 97.91 ± 0.03°
• β: 101.73 ± 0.03°
• γ: 98.44 ± 0.03°
• Cell volume: 1169.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.074
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No