Information card for entry 7235474

Structure parameters

• Formula: C15 H12 N2 O3 Se
• Calculated formula: C15 H12 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: 6.5803 ± 0.0006 Å
• b: 6.6436 ± 0.0006 Å
• c: 32.419 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1417.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No