Information card for entry 7202659

Structure parameters

• Formula: C15 H15 N7
• Calculated formula: C15 H15 N7
• SMILES: n1c(nc2c(c1N)nc(n2Cc1ccccc1)C#N)N(C)C
• Title of publication: Highly fluorescent donor?acceptor purines
• Authors of publication: Butler, Roslyn S.; Myers, Andrea K.; Bellarmine, Prabhu; Abboud, Khalil A.; Castellano, Ronald K.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2007
• Journal volume: 17
• Journal issue: 19
• Pages of publication: 1863
• a: 10.0863 ± 0.0008 Å
• b: 8.6914 ± 0.0007 Å
• c: 16.9812 ± 0.0014 Å
• α: 90°
• β: 98.137 ± 0.002°
• γ: 90°
• Cell volume: 1473.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No