Information card for entry 1569768

Structure parameters

• Formula: C19 H17 N O Se
• Calculated formula: C19 H17 N O Se
• SMILES: [Se](c1ccccc1)CCN/C=C1\C(=O)C=Cc2ccccc12
• Title of publication: Chalcogen bonding in copper(II)-mediated synthesis.
• Authors of publication: Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.
• Journal of publication: Faraday discussions
• Year of publication: 2023
• Journal volume: 244
• Journal issue: 0
• Pages of publication: 77 - 95
• a: 30.89 ± 0.002 Å
• b: 5.5621 ± 0.0003 Å
• c: 18.666 ± 0.0012 Å
• α: 90°
• β: 96.111 ± 0.002°
• γ: 90°
• Cell volume: 3188.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No