Information card for entry 7158714

Structure parameters

• Formula: C35 H20 O5
• Calculated formula: C35 H20 O5
• SMILES: c12C(=O)c3ccccc3c1c1C(=O)c3ccccc3c1c1c2C(c2c(C1=O)cccc2)(c1ccc(cc1)OC)O
• Title of publication: Domino reaction of bindone and 1,3-dipolarophiles for the synthesis of diverse spiro and fused indeno[1,2-<i>a</i>]fluorene-7,12-diones.
• Authors of publication: Liu, Dan; Liu, Xueyan; Sun, Jing; Han, Ying; Yan, Chao-Guo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 24
• Pages of publication: 4964 - 4969
• a: 8.5047 ± 0.0011 Å
• b: 27.831 ± 0.004 Å
• c: 10.6483 ± 0.0015 Å
• α: 90°
• β: 107.629 ± 0.004°
• γ: 90°
• Cell volume: 2402 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1941
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No