Information card for entry 7006424

Structure parameters

• Formula: C15 H15 N5 O2
• Calculated formula: C15 H15 N5 O2
• SMILES: n1c2c(nc(c1c1[nH]ccc1)c1[nH]ccc1)nccc2.O.O
• Title of publication: A colorimetric chemosensor for both fluoride and transition metal ions based on dipyrrolyl derivative.
• Authors of publication: Ghosh, Tamal; Maiya, Bhaskar G.; Samanta, Anunay
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 6
• Pages of publication: 795 - 801
• a: 6.7615 ± 0.0006 Å
• b: 9.3751 ± 0.0009 Å
• c: 12.22 ± 0.0011 Å
• α: 83.376 ± 0.002°
• β: 89.496 ± 0.002°
• γ: 75.25 ± 0.002°
• Cell volume: 743.92 ± 0.12 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1874
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No