Information card for entry 7119677

Structure parameters

• Common name: 3-(2-methoxyphenyl)benzo[de]chromene-2,6-dione
• Chemical name: 3-(2-methoxyphenyl)benzo[de]chromene-2,6-dione
• Formula: C19 H12 O4
• Calculated formula: C19 H12 O4
• SMILES: c1ccc2C(=O)C=CC3=C(C(=O)Oc1c23)c1ccccc1OC
• Title of publication: Copper(I)-Y zeolite catalyzed N-sulfonylketenimine mediated annulation of hydroxynaphthoquinones: syntheses of naphtho[2,1-b]furan-2,5-diones and benzo[de]chromene-2,6-diones
• Authors of publication: Devenderan Ramanathan; Kayambu Namitharan; Kasi Pitchumani
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 8436
• a: 8.4472 ± 0.0004 Å
• b: 12.7834 ± 0.0005 Å
• c: 15.0002 ± 0.0006 Å
• α: 100.217 ± 0.002°
• β: 105.699 ± 0.002°
• γ: 108.939 ± 0.0019°
• Cell volume: 1411 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No