Information card for entry 4510228

Structure parameters

• Formula: C31 H42 N4 O
• Calculated formula: C31 H42 N4 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: 8.1555 ± 0.0005 Å
• b: 9.7034 ± 0.0006 Å
• c: 18.2534 ± 0.0012 Å
• α: 92.894 ± 0.005°
• β: 99.124 ± 0.005°
• γ: 91.71 ± 0.005°
• Cell volume: 1423.36 ± 0.16 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1352
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.2769
• Weighted residual factors for all reflections included in the refinement: 0.3048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No