Information card for entry 7223009

Structure parameters

• Formula: C24 H25 N5 O
• Calculated formula: C24 H25 N5 O
• SMILES: N(c1c(C(=O)CCCCC)cccc1)c1ncnc2n(Cc3ccccc3)cnc12
• Title of publication: Palladium-catalysed ortho-acylation of 6-anilinopurines/purine nucleosides via C-H activation
• Authors of publication: Swamy, K. C. Kumara; Allu, Srinivasarao
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.249 ± 0.003 Å
• b: 9.685 ± 0.003 Å
• c: 14.06 ± 0.005 Å
• α: 94.073 ± 0.006°
• β: 91.653 ± 0.006°
• γ: 107.489 ± 0.006°
• Cell volume: 1067.2 ± 0.6 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 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: 0.0593
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No