Information card for entry 7053966

Structure parameters

• Chemical name: (E)-1-benzyl-3-[(3-hydroxypropylamino)-phenylmethylidene]-1,3-dihydro-2H- pyrido[2,3-b]pyrrolo[3,2-e]pyrazin-2-one- pyrido[3,4-b]pyrrolo[3,2-e]pyrazin-2-one
• Formula: C26 H23 N5 O2
• Calculated formula: C26 H23 N5 O2
• Title of publication: Ratiometric fluorescent Zn2+ and In3+ receptors of fused pyrazine with an aminopropanol chain in acetonitrile
• Authors of publication: Ostrowska, Katarzyna; Kaźmierska, Alicja; Rąpała-Kozik, Maria; Kalinowska-Tłuścik, Justyna
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 1
• Pages of publication: 213
• a: 9.1766 ± 0.0001 Å
• b: 11.1148 ± 0.0001 Å
• c: 21.7846 ± 0.0002 Å
• α: 90°
• β: 106.341 ± 0.001°
• γ: 90°
• Cell volume: 2132.19 ± 0.04 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• 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: 0.0498
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1026
• 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