Information card for entry 2010758

Structure parameters

• Formula: C10 H8 N2 O3
• Calculated formula: C10 H8 N2 O3
• SMILES: O(c1c(cccc1)/C=C(N(=O)=O)\C#N)C
• Title of publication: <i>trans</i>-1-Cyano-2-(2-methoxyphenyl)-1-nitroethylene
• Authors of publication: Nesterov, Vladimir N.; Kislyi, Victor P.; Timofeeva, Tatiana V.; Antipin, Mikhail Yu.; Semenov, Victor V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: e107 - e108
• a: 7.1952 ± 0.0013 Å
• b: 17.356 ± 0.003 Å
• c: 8.3298 ± 0.0016 Å
• α: 90°
• β: 111.148 ± 0.014°
• γ: 90°
• Cell volume: 970.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.106
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes