Information card for entry 7030770

Structure parameters

• Common name: DDJS-64
• Formula: C33 H34 N4 O2 S
• Calculated formula: C33 H34 N4 O2 S
• Title of publication: Visible light excitable ON fluorescence and naked eye detection of Cu(2+)via hydrolysis of rhodamine-thiophene conjugate: human breast cancer cell (MCF7) imaging studies.
• Authors of publication: Adhikari, Sangita; Ghosh, Abhijit; Mandal, Sandip; Sengupta, Archya; Chattopadhyay, Ansuman; Sanmartín Matalobos, Jesús; Lohar, Sisir; Das, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 7747 - 7751
• a: 9.1327 ± 0.0012 Å
• b: 26.729 ± 0.004 Å
• c: 11.9313 ± 0.0016 Å
• α: 90°
• β: 104.556 ± 0.002°
• γ: 90°
• Cell volume: 2819 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No