Information card for entry 1514932

Structure parameters

• Formula: C15 H11 N S
• Calculated formula: C15 H11 N S
• SMILES: c1(cccc2ccccc12)/N=C/c1cccs1
• Title of publication: Thiophene anchored naphthalene derivative: Cr3+ selective turn-on fluorescent probe for living cell imaging
• Authors of publication: Das, Sudipta; Sahana, Animesh; Banerjee, Arnab; Lohar, Sisir; Guha, Subarna; Matalobos, Jesús Sanmartín; Das, Debasis
• Journal of publication: Analytical Methods
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 2254
• a: 10.7541 ± 0.0018 Å
• b: 20.966 ± 0.004 Å
• c: 10.5543 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2379.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No