Information card for entry 7217825

Structure parameters

• Formula: C20 H20 N2 O
• Calculated formula: C20 H20 N2 O
• SMILES: O=C1c2c(c3nn(c4c3c1ccc4)CCCCCC)cccc2
• Title of publication: N-alkyl derivative of 1,9-pyrazoloanthrone as a sensor for picric acid
• Authors of publication: Karothu, Durga Prasad; Guru Row, Tayur N.
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 4.8043 ± 0.0004 Å
• b: 14.203 ± 0.0011 Å
• c: 23.1328 ± 0.0018 Å
• α: 90°
• β: 91.576 ± 0.008°
• γ: 90°
• Cell volume: 1577.9 ± 0.2 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1913
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.284
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No