Information card for entry 7035985

Structure parameters

• Formula: C20 H12 N4
• Calculated formula: C20 H12 N4
• SMILES: n1c2c3c4c(ccc3)ccc3cccc(c2[nH]c1c1ncc[nH]1)c43
• Title of publication: An imidazolyl-pyreno-imidazole conjugate as a cyanide sensor and a set-reset memorized sequential logic device.
• Authors of publication: Mardanya, Sourav; Karmakar, Srikanta; Mondal, Debiprasad; Baitalik, Sujoy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 36
• Pages of publication: 15994 - 16012
• a: 20.0572 ± 0.0015 Å
• b: 15.3589 ± 0.0011 Å
• c: 9.5549 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2943.4 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1293
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No