Information card for entry 7224424

Structure parameters

• Formula: C32 H27 F N2 O4
• Calculated formula: C32 H27 F N2 O4
• SMILES: c12ccc(cc1[C@]1(C(=O)N2)[C@@H](C(=O)c2ccc(C)cc2)[C@H]2C(=C(C1=O)C#N)c1c(CC2)cccc1)F.C(C)O.c12ccc(cc1[C@@]1(C(=O)N2)[C@H](C(=O)c2ccc(C)cc2)[C@@H]2C(=C(C1=O)C#N)c1c(CC2)cccc1)F.C(C)O
• Title of publication: Molecular diversity of cyclization reaction of 3-methyleneoxindoles with 2-(3,4-dihydronaphthalen-1(2H)-ylidene)malononitriles
• Authors of publication: Lu, Yu-Ling; Sun, Jing; Xie, Ya-Jing; Yan, Chao Guo
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.69 ± 0.004 Å
• b: 10.994 ± 0.004 Å
• c: 14.661 ± 0.006 Å
• α: 111.644 ± 0.012°
• β: 92.109 ± 0.013°
• γ: 107.964 ± 0.012°
• Cell volume: 1360.8 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2123
• Weighted residual factors for all reflections included in the refinement: 0.2412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No