Information card for entry 2211403

Structure parameters

• Chemical name: Methyl (E)-3-(5-cyano-2-furyl)-2-phenylacrylate
• Formula: C15 H11 N O3
• Calculated formula: C15 H11 N O3
• SMILES: N#Cc1oc(cc1)/C=C(/C(=O)OC)c1ccccc1
• Title of publication: Methyl (<i>E</i>)-3-(5-cyano-2-furyl)-2-phenylacrylate
• Authors of publication: Mrvoš-Sermek, Draginja; Starčević, Kristina; Karminski-Zamola, Grace
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5490 - o5491
• a: 6.2701 ± 0.0005 Å
• b: 19.948 ± 0.002 Å
• c: 10.672 ± 0.001 Å
• α: 90°
• β: 102.18 ± 0.008°
• γ: 90°
• Cell volume: 1304.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes