Information card for entry 7156583

Structure parameters

• Formula: C21 H22 N6 O S
• Calculated formula: C21 H22 N6 O S
• Title of publication: An effective and facile synthesis of new blue fluorophores on the basis of an 8-azapurine core.
• Authors of publication: Eltyshev, Alexander K.; Suntsova, Polina O.; Karmatskaia, Ksenia D.; Taniya, Olga S.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 48
• Pages of publication: 9420 - 9429
• a: 6.4066 ± 0.0005 Å
• b: 18.5404 ± 0.0016 Å
• c: 16.577 ± 0.0016 Å
• α: 90°
• β: 91.794 ± 0.007°
• γ: 90°
• Cell volume: 1968.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.1936
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No