Information card for entry 4514141

Structure parameters

• Formula: C18 H18
• Calculated formula: C18 H18
• SMILES: c1(ccccc1)/C=C/[C@@H]1C[C@@H]1c1cccc(c1)C
• Title of publication: Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions.
• Authors of publication: Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M.
• Journal of publication: ACS catalysis
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 3668 - 3675
• a: 9.035 ± 0.002 Å
• b: 5.7594 ± 0.0015 Å
• c: 13.277 ± 0.003 Å
• α: 90°
• β: 100.891 ± 0.007°
• γ: 90°
• Cell volume: 678.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No