Information card for entry 4033833

Structure parameters

• Formula: C24 H20 O4
• Calculated formula: C24 H20 O4
• SMILES: c1(cc2c(c(cc(=O)o2)C)cc1c1cc(ccc1)OC)c1cc(ccc1)OC
• Title of publication: Accessing [<i>g</i>]-Face π-Expanded Fluorescent Coumarins by Scholl Cyclization.
• Authors of publication: Nitisha, ?; Venkatakrishnan, Parthasarathy
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 17
• Pages of publication: 10679 - 10689
• a: 8.2181 ± 0.0007 Å
• b: 18.9531 ± 0.0017 Å
• c: 12.315 ± 0.0011 Å
• α: 90°
• β: 97.258 ± 0.004°
• γ: 90°
• Cell volume: 1902.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No