Information card for entry 1506752

Structure parameters

• Formula: C30 H23 Cl O
• Calculated formula: C30 H23 Cl O
• SMILES: Clc1c(C2(O/C(=C\c3ccccc3)C(=C2c2ccccc2)c2ccccc2)C)cccc1
• Title of publication: Gold-catalyzed cyclization of (Z)-2-en-4-yn-1-ols: highly efficient synthesis of fully substituted dihydrofurans and furans.
• Authors of publication: Liu, Yuanhong; Song, Feijie; Song, Zhiquan; Liu, Meina; Yan, Bin
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 24
• Pages of publication: 5409 - 5412
• a: 9.2481 ± 0.001 Å
• b: 17.4891 ± 0.0018 Å
• c: 14.302 ± 0.0015 Å
• α: 90°
• β: 97.552 ± 0.002°
• γ: 90°
• Cell volume: 2293.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No