Information card for entry 7121220

Structure parameters

• Formula: C24 H18 Cl N O
• Calculated formula: C24 H18 Cl N O
• SMILES: Clc1ccc(n2c(C(=O)c3ccccc3)c(cc2c2ccccc2)C)cc1
• Title of publication: Gold-catalyzed N,O-functionalization of 1,4-diyn-3-ols with N-hydroxyanilines to form highly functionalized pyrrole derivatives.
• Authors of publication: Hsu, Yu-Chen; Hsieh, Shu-An; Li, Po-Hsuan; Liu, Rai-Shung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 2114 - 2117
• a: 11.0623 ± 0.0005 Å
• b: 18.5108 ± 0.0009 Å
• c: 9.7609 ± 0.0004 Å
• α: 90°
• β: 98.868 ± 0.002°
• γ: 90°
• Cell volume: 1974.87 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.082
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No