Information card for entry 2003971

Structure parameters

• Formula: C14 H22 N6 O4
• Calculated formula: C15 H22 N6 O5
• Title of publication: 8-Amino-7-(2-hydroxy-3-morpholinopropyl)theophylline
• Authors of publication: Karczmarzyk, Z.; Karolak-Wojciechowska, J.; Pawlowski, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2121 - 2123
• a: 26.114 ± 0.005 Å
• b: 9.859 ± 0.002 Å
• c: 13.273 ± 0.003 Å
• α: 90°
• β: 108.48 ± 0.03°
• γ: 90°
• Cell volume: 3241 ± 1.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.0667
• Goodness-of-fit parameter for significantly intense reflections: 3.43
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No