Information card for entry 2201892

Structure parameters

• Common name: Mansonone H
• Chemical name: 4-Hydroxy-3,6,9-trimethyl-2,3-dihydrobenzo[de]chromene-7,8-dione
• Formula: C15 H14 O4
• Calculated formula: C15 H14 O4
• SMILES: Oc1cc(c2c3c1[C@@H](COC3=C(C(=O)C2=O)C)C)C
• Title of publication: 4-Hydroxy-3,6,9-trimethyl-2,3-dihydrobenzo[<i>de</i>]chromene-7,8-dione
• Authors of publication: Xin-Dong Guo; Cheng-Zhu Liao; Lin Ma; Lian-Quan Gu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o558 - o560
• a: 17.917 ± 0.001 Å
• b: 18.126 ± 0.001 Å
• c: 7.668 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2490.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes