Information card for entry 7023879

Structure parameters

• Formula: C20 H15 N S
• Calculated formula: C20 H15 N S
• SMILES: c1(c2ccccc2cc2ccccc12)/C=N/Cc1cccs1
• Title of publication: An INHIBIT logic gate from a thiophene derivative using iron and zinc ions as the input: tuning the efficiency on moving from naphthalene to anthracene to pyrene for the green luminescent detection of the intracellular iron.
• Authors of publication: Banerjee, Arnab; Sahana, Animesh; Das, Sudipta; Lohar, Sisir; Sarkar, Bidisha; Mukhopadhyay, Subhra Kanti; Matalobos, Jesús Sanmartín; Das, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 46
• Pages of publication: 16387 - 16395
• a: 4.3718 ± 0.0004 Å
• b: 13.1396 ± 0.0012 Å
• c: 25.912 ± 0.002 Å
• α: 90°
• β: 93.433 ± 0.005°
• γ: 90°
• Cell volume: 1485.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0584
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No