Information card for entry 7105492

Structure parameters

• Formula: C27 H16 F5 N O3
• Calculated formula: C27 H16 F5 N O3
• SMILES: Fc1c(/C=C(OC(=O)C)/C=N/c2oc(cc2c2ccccc2)c2ccccc2)c(F)c(F)c(F)c1F
• Title of publication: Atom-efficient synthesis of α-alkylidene-N-furylimines via catalytic vinylcarbene-transfer reactions to carbonyl-ene-nitrile compounds
• Authors of publication: Murai, Masahito; Yoshida, Shotaro; Miki, Koji; Ohe, Kouichi
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 3366 - 3368
• a: 14.794 ± 0.006 Å
• b: 7.433 ± 0.003 Å
• c: 20.806 ± 0.008 Å
• α: 90°
• β: 106.905 ± 0.002°
• γ: 90°
• Cell volume: 2189 ± 1.5 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No