Information card for entry 7158720

Structure parameters

• Formula: C42 H25 N O5
• Calculated formula: C42 H25 N O5
• SMILES: c12ccccc1C(=O)[C@H]1[C@]32C(=O)c2ccccc2C(=O)[C@H]3[C@]2(C(=O)N(Cc3ccccc3)c3c2cccc3)C2=C1c1ccccc1C2=O.c12ccccc1C(=O)[C@@H]1[C@@]32C(=O)c2ccccc2C(=O)[C@@H]3[C@@]2(C(=O)N(Cc3ccccc3)c3c2cccc3)C2=C1c1ccccc1C2=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: 12.9685 ± 0.0009 Å
• b: 13.8484 ± 0.0011 Å
• c: 20.7097 ± 0.0016 Å
• α: 90°
• β: 93.367 ± 0.002°
• γ: 90°
• Cell volume: 3712.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.135
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No