Information card for entry 7158716

Structure parameters

• Formula: C37 H24 O4
• Calculated formula: C37 H24 O4
• SMILES: c12C(=O)c3ccccc3c1c1C(=O)c3ccccc3c1c1c2C(c2c(C1=O)cccc2)(c1ccc(C(C)C)cc1)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: 8.297 ± 0.0004 Å
• b: 12.8462 ± 0.0007 Å
• c: 13.7948 ± 0.0007 Å
• α: 114.993 ± 0.0016°
• β: 93.9003 ± 0.0016°
• γ: 100.751 ± 0.0018°
• Cell volume: 1291.33 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0936
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No