Information card for entry 7220493

Structure parameters

• Formula: C30 H24 N2 O3
• Calculated formula: C30 H24 N2 O3
• SMILES: O(c1ccc(cc1)c1cccc(c1C(=O)Nc1cccc2c1nccc2)c1ccc(OC)cc1)C
• Title of publication: Step economical synthesis of o-aryl benzamides via C-H activation relayed by the in situ installation of directing group: a multicomponent method
• Authors of publication: Liu, Yunyun; Zhang, Yi; Huang, Meiying; Wan, Jie-Ping
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.8035 ± 0.0018 Å
• b: 10.76 ± 0.002 Å
• c: 13.898 ± 0.003 Å
• α: 94.58 ± 0.03°
• β: 100.59 ± 0.03°
• γ: 110.38 ± 0.03°
• Cell volume: 1198.2 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No