Information card for entry 2216367

Structure parameters

• Chemical name: 1,5,8-Trimethyl-1,2-dihydronaphtho[2,1-b]furan-6,7-dione
• Formula: C15 H14 O3
• Calculated formula: C15 H14 O3
• SMILES: O1C[C@H](c2c3C=C(C(=O)C(=O)c3c(cc12)C)C)C
• Title of publication: 1,5,8-Trimethyl-1,2-dihydronaphtho[2,1-<i>b</i>]furan-6,7-dione
• Authors of publication: Sompong Boonsri; Suchada Chantrapromma; Hoong-Kun Fun; Chatchanok Karalai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4901 - o4901
• a: 7.1218 ± 0.0002 Å
• b: 10.2061 ± 0.0002 Å
• c: 32.9005 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2391.4 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2396
• Weighted residual factors for all reflections included in the refinement: 0.2589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes