Information card for entry 7248674

Structure parameters

• Formula: C18 H15 N3 O
• Calculated formula: C18 H15 N3 O
• SMILES: C(#N)C1(C#N)Cc2c(cccc2)Oc2c(cccc2)N(C1)C
• Title of publication: C(sp3)–H cyclizations of 2-(2-vinyl)phenoxy-tert-anilines
• Authors of publication: Dunkel, Petra; Bogdán, Dóra; Deme, Ruth; Zimber, Ádám; Ballayová, Veronika; Csizmadia, Eszter; Kontra, Bence; Kalydi, Eszter; Bényei, Attila; Mátyus, Péter; Mucsi, Zoltán
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 16784 - 16800
• a: 8.745 ± 0.001 Å
• b: 9.836 ± 0.001 Å
• c: 17.535 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1508.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No