Information card for entry 7240596

Structure parameters

• Chemical name: N-[2-trans-(4-hydroxyphenyl) ethenyl] formamide
• Formula: C9 H9 N O2
• Calculated formula: C9 H9 N O2
• SMILES: Oc1ccc(cc1)/C=C/NC=O
• Title of publication: Identification and bioactivity evaluation of secondary metabolites from Antarctic-derived Penicillium chrysogenum CCTCC M 2020019
• Authors of publication: Khan, Imran; Zhang, Haibo; Liu, Wei; Zhang, Liping; Peng, Fang; Chen, Yuchan; Zhang, Qingbo; Zhang, Guangtao; Zhang, Weimin; Zhang, Changsheng
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 35
• Pages of publication: 20738 - 20744
• a: 12.9027 ± 0.0009 Å
• b: 6.9592 ± 0.0004 Å
• c: 18.0598 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1621.6 ± 0.2 ų
• Cell temperature: 105 ± 8 K
• Ambient diffraction temperature: 105 ± 8 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No