Information card for entry 7119341

Structure parameters

• Formula: C34 H31 Cl N2 O
• Calculated formula: C34 H31 Cl N2 O
• SMILES: c1cc(ccc1[C@@H]1c2c(CN(CN1Cc1ccccc1)Cc1ccccc1)c(c1ccccc1)oc2C)Cl
• Title of publication: Gold-catalyzed sequential annulations towards 3,4-fused bi/tri-cyclic furans involving a [3+2+2]-cycloaddition.
• Authors of publication: Liu, Suna; Yang, Pu; Peng, Shiyong; Zhu, Chenghao; Cao, Shengyu; Li, Jian; Sun, Jiangtao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 1152 - 1155
• a: 9.9447 ± 0.0018 Å
• b: 9.7882 ± 0.0017 Å
• c: 14.404 ± 0.003 Å
• α: 90°
• β: 99.979 ± 0.004°
• γ: 90°
• Cell volume: 1380.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1408
• 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