Information card for entry 7060689

Structure parameters

• Formula: C29 H18 F N3 O2
• Calculated formula: C29 H18 F N3 O2
• SMILES: c1cc(ccc1/C=C/c1c2C(=O)C(=O)c3ccccc3c2nc2c1c(nn2c1ccccc1)C)F
• Title of publication: Multicomponent synthesis of styryl linked benzo[h]pyrazolo[3,4-b]quinoline-5,6(10H)-diones by liquid assisted grinding
• Authors of publication: Yadav, Rahul; Parvin, Tasneem
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 10388 - 10395
• a: 9.177 ± 0.004 Å
• b: 12.753 ± 0.005 Å
• c: 11.653 ± 0.004 Å
• α: 90°
• β: 123.03 ± 0.02°
• γ: 90°
• Cell volume: 1143.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.2444
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.2121
• 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