Information card for entry 7158713

Structure parameters

• Formula: C37 H23 N3 O4
• Calculated formula: C37 H23 N3 O4
• SMILES: C1(=O)c2ccccc2C(=O)C21C1=C(C(=O)c3c1cccc3)C1(C(=O)N(Cc3ccccc3)c3c1cc(C)cc3)C(=C2N)C#N
• 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: 17.4162 ± 0.0016 Å
• b: 11.9045 ± 0.0011 Å
• c: 34.111 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7072.3 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1964
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.2212
• Weighted residual factors for all reflections included in the refinement: 0.2761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No