Information card for entry 2211581

Structure parameters

• Formula: C28 H22 N2 O4 S
• Calculated formula: C28 H22 N2 O4 S
• SMILES: S1C(N(c2c1cccc2)C(=O)CN1C(=O)C=CC1=O)(/C=C/c1ccc(OC)cc1)c1ccccc1
• Title of publication: 2-[2-(4-Methoxyphenyl)vinyl]-3-[(2-maleimidyl)acetyl]-2,3-dihydro-1,3-benzothiazole
• Authors of publication: Zhang, Ping; Du, Cai-Yun; Li, Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5862 - o5863
• a: 9.97 ± 0.005 Å
• b: 10.191 ± 0.005 Å
• c: 23.941 ± 0.011 Å
• α: 90°
• β: 94.31 ± 0.007°
• γ: 90°
• Cell volume: 2426 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0632
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes