Information card for entry 2205629

Structure parameters

• Common name: 1,2-dihydrotanshinquinone
• Chemical name: 8,9-Dihydro-1,6-dimethylphenanthro[1,2-b]furan-10,11-dione
• Formula: C18 H14 O3
• Calculated formula: C18 H14 O3
• SMILES: o1c2c3c(c4c(cc3)C(=CCC4)C)C(=O)C(=O)c2c(c1)C
• Title of publication: 8,9-Dihydro-1,6-dimethylphenanthro[1,2-<i>b</i>]furan-10,11-dione
• Authors of publication: Qin, Jiang-Ke; Liao, Cheng-Zhu; Wang, Yong-Tao; Bu, Xian-Zhang; Huang, Zhi-Shu; Gu, Lian-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o804 - o805
• a: 7.9225 ± 0.0011 Å
• b: 8.0119 ± 0.001 Å
• c: 11.7565 ± 0.0014 Å
• α: 83.979 ± 0.002°
• β: 86.251 ± 0.002°
• γ: 64.422 ± 0.002°
• Cell volume: 669.22 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes