Information card for entry 1553620

Structure parameters

• Formula: C23 H26 O
• Calculated formula: C23 H26 O
• SMILES: O1c2c3ccccc3cc(c2CC1)[C@@H]1[C@H]2C[C@@H]3C([C@H]([C@@]12C)C3)(C)C.O1c2c3ccccc3cc(c2CC1)[C@H]1[C@@H]2C[C@H]3C([C@@H]([C@]12C)C3)(C)C
• Title of publication: An efficient approach to generate aryl carbenes: gold-catalyzed sequential activation of 1,6-diynes
• Authors of publication: Cao, Tongxiang; Chen, Kai; Zhu, Shifa
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 450
• a: 12.3103 ± 0.0016 Å
• b: 20.299 ± 0.003 Å
• c: 6.9248 ± 0.0009 Å
• α: 90°
• β: 95.884 ± 0.003°
• γ: 90°
• Cell volume: 1721.3 ± 0.4 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 3
• 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: 0.0754
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No