Information card for entry 4510229

Structure parameters

• Formula: C14 H8 N2 O
• Calculated formula: C14 H8 N2 O
• Title of publication: 1,9-Pyrazoloanthrone as a Colorimetric and “Turn-On” Fluorometric Chemosensor: Structural Implications
• Authors of publication: Durga Prasad, Karothu; Venkataramaiah, N.; Guru Row, Tayur N.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 2118
• a: 14.947 ± 0.0013 Å
• b: 14.947 ± 0.0013 Å
• c: 3.8185 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 738.81 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 4
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.1385
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.196
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No