Information card for entry 2237398

Structure parameters

• Chemical name: 4-(Octyloxy)phenyl 2-oxo-2<i>H</i>-chromene-3-carboxylate
• Formula: C24 H26 O5
• Calculated formula: C24 H26 O5
• SMILES: o1c2ccccc2cc(c1=O)C(=O)Oc1ccc(OCCCCCCCC)cc1
• Title of publication: 4-(Octyloxy)phenyl 2-oxo-2<i>H</i>-chromene-3-carboxylate
• Authors of publication: Palakshamurthy, B. S.; Sreenivasa, S.; Srinivasa, H. T.; Roopashree, K. R.; Devarajegowda, H. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o212
• a: 14.464 ± 0.003 Å
• b: 6.7548 ± 0.0015 Å
• c: 21.381 ± 0.005 Å
• α: 90°
• β: 91.663 ± 0.008°
• γ: 90°
• Cell volume: 2088.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1271
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes