Information card for entry 7158719

Structure parameters

• Formula: C38 H28 N2 O3
• Calculated formula: C38 H28 N2 O3
• 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: 9.7066 ± 0.0006 Å
• b: 12.5713 ± 0.0007 Å
• c: 23.8206 ± 0.0014 Å
• α: 90°
• β: 100.881 ± 0.002°
• γ: 90°
• Cell volume: 2854.4 ± 0.3 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: 0.0807
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No