Information card for entry 7060690

Structure parameters

• Formula: C29 H18 Br N3 O2
• Calculated formula: C29 H18 Br N3 O2
• SMILES: Brc1ccc(cc1)/C=C/c1c2C(=O)C(=O)c3ccccc3c2nc2c1c(C)nn2c1ccccc1
• 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: 10.6575 ± 0.0007 Å
• b: 10.8837 ± 0.0007 Å
• c: 11.685 ± 0.0008 Å
• α: 110.376 ± 0.002°
• β: 102.926 ± 0.002°
• γ: 108.235 ± 0.002°
• Cell volume: 1119.38 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.15
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No