Information card for entry 2212633

Structure parameters

• Chemical name: 7-Diethylamino-3-[(2Z)-3-(6-methoxy-2-naphthyl)prop-2-enoyl]-2H-chromen-2-one
• Formula: C27 H25 N O4
• Calculated formula: C27 H25 N O4
• SMILES: N(c1cc2OC(=O)C(C(=O)/C=C/c3cc4ccc(cc4cc3)OC)=Cc2cc1)(CC)CC
• Title of publication: 7-Diethylamino-3-[(2<i>Z</i>)-3-(6-methoxy-2-naphthyl)prop-2-enoyl]-2<i>H</i>-chromen-2-one
• Authors of publication: Yathirajan, H. S.; Mayekar, Anil N.; Sarojini, B. K.; Narayana, B.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1140 - o1141
• a: 20.8426 ± 0.0013 Å
• b: 7.9413 ± 0.0008 Å
• c: 13.5838 ± 0.0009 Å
• α: 90°
• β: 107.246 ± 0.005°
• γ: 90°
• Cell volume: 2147.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0707
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes