Information card for entry 7235475

Structure parameters

• Formula: C14 H10 N2 O3 Se
• Calculated formula: C14 H10 N2 O3 Se
• Title of publication: Sensitive and regenerable organochalcogen probes for the colorimetric detection of thiols
• Authors of publication: Balkrishna, Shah Jaimin; Hodage, Ananda S.; Kumar, Shailesh; Panini, Piyush; Kumar, Sangit
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 23
• Pages of publication: 11535
• a: 25.121 ± 0.003 Å
• b: 8.1738 ± 0.0011 Å
• c: 12.8146 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2631.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.2041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No