Information card for entry 7103079

Structure parameters

• Formula: C28 H30 N2 O2 S
• Calculated formula: C28 H30 N2 O2 S
• Title of publication: Rhodamine thiospirolactone. Highly selective and sensitive reversible sensing of Hg(II).
• Authors of publication: Zhan, Xin-Qi; Qian, Zhen-Hua; Zheng, Hong; Su, Bing-Yuan; Lan, Zhi; Xu, Jin-Gou
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 16
• Pages of publication: 1859 - 1861
• a: 10.9203 ± 0.0005 Å
• b: 15.6081 ± 0.0007 Å
• c: 14.5574 ± 0.0007 Å
• α: 90°
• β: 97.687 ± 0.001°
• γ: 90°
• Cell volume: 2458.9 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• 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: 0.063
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No