Information card for entry 4033832

Structure parameters

• Formula: C24 H18 O4
• Calculated formula: C24 H18 O4
• SMILES: c12ccc(cc1c1cc3c(cc(=O)oc3cc1c1cc(ccc21)OC)C)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: 7.3105 ± 0.0006 Å
• b: 19.3271 ± 0.0015 Å
• c: 15.1127 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2135.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No