Information card for entry 7021307

Structure parameters

• Formula: C16 H13 N O S
• Calculated formula: C16 H13 N O S
• Title of publication: A naphthalene-thiophene hybrid molecule as a fluorescent AND logic gate with Zn(2+) and OAc(-) ions as inputs: cell imaging and computational studies.
• Authors of publication: Karak, Debasis; Das, Sudipta; Lohar, Sisir; Banerjee, Arnab; Sahana, Animesh; Hauli, Ipsit; Mukhopadhyay, Subhra Kanti; Safin, Damir A.; Babashkina, Maria G.; Bolte, Michael; Garcia, Yann; Das, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 6708 - 6715
• a: 9.8568 ± 0.0012 Å
• b: 9.8036 ± 0.001 Å
• c: 13.8407 ± 0.0019 Å
• α: 90°
• β: 108.52 ± 0.01°
• γ: 90°
• Cell volume: 1268.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0751
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No