Information card for entry 7119678

Structure parameters

• Chemical name: 1-phenylnaphtho[2,1-b]furan-2,5-dione
• Formula: C18.25 H10.5 O3
• Calculated formula: C18.25 H10.5 O3
• 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: 9.081 ± 0.0004 Å
• b: 15.7891 ± 0.0007 Å
• c: 9.2543 ± 0.0004 Å
• α: 90°
• β: 97.431 ± 0.002°
• γ: 90°
• Cell volume: 1315.74 ± 0.1 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: 0.0696
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No