Information card for entry 7238756

Structure parameters

• Formula: C25 H21 N O S2
• Calculated formula: C25 H21 N O S2
• Title of publication: Interaction of soft donor sites with a hard metal ion: crystallographically characterized blue emitting fluorescent probe for Al(iii) with cell staining studies
• Authors of publication: Karak, Debasis; Lohar, Sisir; Banerjee, Arnab; Sahana, Animesh; Hauli, Ipsit; Mukhopadhyay, Subhra Kanti; Sanmartín Matalobos, Jesús; Das, Debasis
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 32
• Pages of publication: 12447
• a: 20.4426 ± 0.0045 Å
• b: 7.457 ± 0.0017 Å
• c: 13.7891 ± 0.003 Å
• α: 90°
• β: 108.579 ± 0.003°
• γ: 90°
• Cell volume: 1992.5 ± 0.8 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: 0.0824
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No