Information card for entry 2004009

Structure parameters

• Common name: stilbene-carbamate 2
• Chemical name: 4-[2-(2',4'-dinitrophenyl)ethenyl]phenylcarbamic acid ethyl ester
• Formula: C17 H15 N3 O6
• Calculated formula: C17 H15 N3 O6
• SMILES: c1c(c(ccc1N(=O)=O)/C=C/c1ccc(cc1)NC(=O)OCC)N(=O)=O
• Title of publication: Two New Stilbene Carbamates
• Authors of publication: Soto Bustamante, E. A.; Hanemann, T.; Haase, W.; Svoboda, I.; Fuess, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2192 - 2196
• a: 8.607 ± 0.002 Å
• b: 33.918 ± 0.008 Å
• c: 11.43 ± 0.002 Å
• α: 90°
• β: 90.54 ± 0.02°
• γ: 90°
• Cell volume: 3336.6 ± 1.2 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0802
• Weighted residual factors for all reflections: 0.2022
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.011
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No