Information card for entry 7232094

Structure parameters

• Chemical name: ethyl (E)-2-cyano-3-(1-hydroxynaphthalen-8-yl)acrylate
• Formula: C16 H13 N O3
• Calculated formula: C16 H13 N O3
• Title of publication: O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres
• Authors of publication: Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1009
• a: 10.8607 ± 0.0007 Å
• b: 8.0882 ± 0.0005 Å
• c: 15.3629 ± 0.0009 Å
• α: 90°
• β: 100.51 ± 0.005°
• γ: 90°
• Cell volume: 1326.89 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0695
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No