Information card for entry 1502631

Structure parameters

• Formula: C19 H19 N O5
• Calculated formula: C19 H19 N O5
• SMILES: O=N(=O)c1ccccc1C/C=C/c1c(c(ccc1O)C(=O)OCC)C
• Title of publication: Sequential one-pot combination of multireactions through multicatalysis: a general approach to rapid assembly of functionalized push-pull olefins, phenols, and 2-methyl-2H-chromenes.
• Authors of publication: Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Bharanishashank, Adluri; Narayana, Vidadala V.
• Journal of publication: Journal of combinatorial chemistry
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 855 - 876
• a: 8.025 ± 0.003 Å
• b: 8.415 ± 0.003 Å
• c: 14.351 ± 0.006 Å
• α: 87.633 ± 0.008°
• β: 83.514 ± 0.006°
• γ: 61.76 ± 0.005°
• Cell volume: 848.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1298
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.1894
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No