Information card for entry 2219134

Structure parameters

• Chemical name: <i>N</i>-butyl-<i>N</i>-ethyl-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)- 7<i>H</i>-pyrrolo[2,3-<i>d</i>]pyrimidin-4-amine
• Formula: C24 H34 N4
• Calculated formula: C24 H34 N4
• SMILES: n1c(nc(N(CC)CCCC)c2c(c(n(c12)c1c(cc(cc1C)C)C)C)C)C
• Title of publication: Antalarmin
• Authors of publication: Slauson, Stephen R.; Rimoldi, John M.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1650 - o1651
• a: 10.2656 ± 0.001 Å
• b: 11.0655 ± 0.0011 Å
• c: 11.5029 ± 0.0012 Å
• α: 63.646 ± 0.006°
• β: 85.669 ± 0.006°
• γ: 73.036 ± 0.005°
• Cell volume: 1117.7 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes