Information card for entry 2209411

Structure parameters

• Chemical name: Succinimidyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate chloroform solvate
• Formula: C19 H19 Cl3 N2 O6
• Calculated formula: C19 H19 Cl3 N2 O6
• SMILES: o1c(=O)c(cc2ccc(N(CC)CC)cc12)C(=O)ON1C(=O)CCC1=O.ClC(Cl)Cl
• Title of publication: Succinimidyl 7-(diethylamino)-2-oxo-2<i>H</i>-chromene-3-carboxylate chloroform solvate
• Authors of publication: Bardajee, Ghasem Rezanejade; Winnik, Mitchell A.; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3079 - o3081
• a: 19.601 ± 0.003 Å
• b: 9.317 ± 0.0014 Å
• c: 22.807 ± 0.003 Å
• α: 90°
• β: 93.429 ± 0.009°
• γ: 90°
• Cell volume: 4157.6 ± 1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1291
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1786
• Weighted residual factors for all reflections included in the refinement: 0.2085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes