Information card for entry 7135536

Structure parameters

• Formula: C31 H31 N O
• Calculated formula: C31 H31 N O
• Title of publication: Controlled gold-catalyzed 5-<i>exo-dig</i> cyclization of 3-sulfur-substituted 1,3-dien-5-ynes for synthesizing fulvenes and the <i>in situ</i> reaction with indoles.
• Authors of publication: Martínez-Núñez, Clara; Arribas-Torrecilla, Carlos; Sanz, Roberto; Suárez-Pantiga, Samuel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 7
• Pages of publication: 2287 - 2291
• a: 10.8475 ± 0.001 Å
• b: 18.7319 ± 0.0017 Å
• c: 13.0573 ± 0.0013 Å
• α: 90°
• β: 110.439 ± 0.004°
• γ: 90°
• Cell volume: 2486.1 ± 0.4 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 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: 0.0855
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No