Information card for entry 2213573

Structure parameters

• Chemical name: 7-Hydroxy-3,6,9-trimethyl-2,3,5,6-tetrahydronaphtho[1,8-b,c]pyran-4,8-dione
• Formula: C15 H16 O4
• Calculated formula: C15 H16 O4
• SMILES: O1C2=C(C(=O)C(=C3C2=C(C(=O)C[C@@H]3C)[C@@H](C1)C)O)C
• Title of publication: 7-Hydroxy-3,6,9-trimethyl-2,3,5,6-tetrahydronaphtho[1,8-<i>b</i>,<i>c</i>]pyran-4,8-dione
• Authors of publication: Suchada Chantrapromma; Sompong Boonsri; Hoong-Kun Fun; Chatchanok Karalai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2749 - o2750
• a: 8.539 ± 0.0004 Å
• b: 10.0913 ± 0.0005 Å
• c: 30.3769 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2617.6 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 297 ± 3 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: 0.0581
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes