Information card for entry 4023167

Structure parameters

• Formula: C9 H8 O5
• Calculated formula: C9 H8 O5
• SMILES: C1(=O)[C@H]2[C@@]3(C=C[C@H]([C@H]2C(=O)O1)O3)OC.C1(=O)[C@@H]2[C@]3(C=C[C@@H]([C@@H]2C(=O)O1)O3)OC
• Title of publication: Structural Studies on Cycloadducts of Furan, 2-Methoxyfuran, and 5-Trimethylsilylcyclopentadiene with Maleic Anhydride and N-Methylmaleimide
• Authors of publication: Yit Wooi Goh; Brett R. Pool; Jonathan M. White
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 151 - 156
• a: 25.166 ± 0.006 Å
• b: 5.3338 ± 0.0013 Å
• c: 13.99 ± 0.004 Å
• α: 90°
• β: 117.184 ± 0.004°
• γ: 90°
• Cell volume: 1670.4 ± 0.7 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No