Information card for entry 7159566

Structure parameters

• Formula: C19 H15 Cl O2
• Calculated formula: C19 H15 Cl O2
• Title of publication: Dual gold-catalyzed regioselective synthesis of benzofulvenes <i>via</i> 5-<i>endo dig</i> cyclization.
• Authors of publication: Sreenivasulu, Gottam; Sridhar, Balasubramanian; Karunakar, Galla V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 38
• Pages of publication: 7799 - 7807
• a: 16.4838 ± 0.0004 Å
• b: 11.3226 ± 0.0003 Å
• c: 8.5334 ± 0.0002 Å
• α: 90°
• β: 98.046 ± 0.001°
• γ: 90°
• Cell volume: 1576.99 ± 0.07 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0953
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No