Information card for entry 7153494

Structure parameters

• Formula: C19 H20 O4
• Calculated formula: C19 H20 O4
• SMILES: O(c1c(OC)c2[C@H]3[C@@H](C(=O)C=C(C3=C(c2cc1)C)C)C(=O)C)C.O(c1c(OC)c2[C@@H]3[C@H](C(=O)C=C(C3=C(c2cc1)C)C)C(=O)C)C
• Title of publication: New fluorescent trans-dihydrofluoren-3-ones from aldol-Robinson annulation-regioselective addition involved one-pot reaction.
• Authors of publication: Huo, Yingpeng; Qiu, Xu; Shao, Weiyan; Huang, Jianing; Yu, Yanjun; Zuo, Yinglin; An, Linkun; Du, Jun; Bu, Xianzhang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 22
• Pages of publication: 5048 - 5052
• a: 17.8305 ± 0.0002 Å
• b: 5.3631 ± 0.0001 Å
• c: 16.2017 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1549.32 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No