Information card for entry 2001563

Structure parameters

• Formula: C18 H26 N4 O2
• Calculated formula: C18 H26 N4 O2
• Title of publication: Structure of 8-(dicyclopropylmethyl)-1,3-dipropylxanthine
• Authors of publication: Hirayama, N.; Nagahara, Y.; Shimada, J.; Suzuki, F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 7
• Pages of publication: 1413 - 1414
• a: 9.718 ± 0.001 Å
• b: 9.83 ± 0.001 Å
• c: 10.731 ± 0.001 Å
• α: 99.26 ± 0.01°
• β: 105.3 ± 0.01°
• γ: 72.9 ± 0.01°
• Cell volume: 941.2 ± 0.17 ų
• Cell temperature: 295 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 significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.072
• Goodness-of-fit parameter for significantly intense reflections: 0.686
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No