Information card for entry 2008949

Structure parameters

• Chemical name: 2:1 N^6^,N^6^-Dimethyladenine:Tetraiodoethene
• Formula: C16 H18 I4 N10
• Calculated formula: C8 H9 I2 N5
• SMILES: c1(ncnc2c1nc[nH]2)N(C)C.IC(=C(I)I)I.c1nc(c2c(n1)[nH]cn2)N(C)C
• Title of publication: <i>N</i>^6^,<i>N</i>^6^-Dimethyladenine‒tetraiodoethene (2/1)
• Authors of publication: Dahl, Tor
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1568 - 1570
• a: 18.093 ± 0.003 Å
• b: 5.093 ± 0.002 Å
• c: 13.358 ± 0.002 Å
• α: 90°
• β: 105.48 ± 0.02°
• γ: 90°
• Cell volume: 1186.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No