Information card for entry 7224426

Structure parameters

• Formula: C32 H26 F N3 O3
• Calculated formula: C32 H26 F N3 O3
• SMILES: c1ccccc1CN1C(=O)[C@@H](c2cc(ccc12)F)[C@@H](C(=O)OCC)[C@@H]1C(=C(C#N)C#N)c2c(CC1)cccc2.c1ccccc1CN1C(=O)[C@H](c2cc(ccc12)F)[C@H](C(=O)OCC)[C@H]1C(=C(C#N)C#N)c2c(CC1)cccc2
• 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: 8.8879 ± 0.0014 Å
• b: 10.2517 ± 0.0015 Å
• c: 15.125 ± 0.002 Å
• α: 87.979 ± 0.005°
• β: 74.042 ± 0.005°
• γ: 88.22 ± 0.005°
• Cell volume: 1323.9 ± 0.3 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: 0.1384
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No