Information card for entry 7133813

Structure parameters

• Formula: C21 H22 Cl Cu N2 S
• Calculated formula: C21 H22 Cl Cu N2 S
• Title of publication: Copper-catalyzed C(sp³)-H alkylation of fluorene with primary and secondary alcohols using a borrowing hydrogen method.
• Authors of publication: Saha, Ratnakar; Maharana, Suraj Kumar; Jana, Narayan Ch; Bagh, Bidraha
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 74
• Pages of publication: 10144 - 10147
• a: 8.5644 ± 0.0001 Å
• b: 9.6993 ± 0.0001 Å
• c: 23.7155 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1970.02 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No