Information card for entry 2237330

Structure parameters

• Chemical name: 4'-Cyanobiphenyl-4-yl 7-diethylamino-2-oxo-2<i>H</i>-chromene-3-carboxylate
• Formula: C27 H22 N2 O4
• Calculated formula: C27 H22 N2 O4
• SMILES: O=c1oc2cc(N(CC)CC)ccc2cc1C(=O)Oc1ccc(cc1)c1ccc(cc1)C#N
• Title of publication: 4'-Cyanobiphenyl-4-yl 7-diethylamino-2-oxo-2<i>H</i>-chromene-3-carboxylate
• Authors of publication: Sreenivasa, S.; Srinivasa, H. T.; Palakshamurthy, B. S.; Kumar, Vijith; Devarajegowda, H. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o266
• a: 9.652 ± 0.003 Å
• b: 10.252 ± 0.004 Å
• c: 11.121 ± 0.004 Å
• α: 87.214 ± 0.01°
• β: 86.358 ± 0.01°
• γ: 84.348 ± 0.011°
• Cell volume: 1091.9 ± 0.7 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes