Information card for entry 7101603

Structure parameters

• Common name: theophylline L-tartaric acid 2/1
• Chemical name: theophylline L-tartaric acid 2/1
• Formula: C18 H22 N8 O10
• Calculated formula: C18 H22 N8 O10
• Title of publication: Exploring cocrystal-cocrystal reactivity via liquid-assisted grinding: assembling of racemic and dismantling of enantiomeric cocrystals
• Authors of publication: W. Jones; Jonathan C. Burley; Laszlo Fabian; Tomislav Friscic; W. D. Sam Motherwell
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 48
• a: 8.9522 ± 0.0004 Å
• b: 6.7582 ± 0.0005 Å
• c: 18.8755 ± 0.0014 Å
• α: 90°
• β: 100.685 ± 0.004°
• γ: 90°
• Cell volume: 1122.19 ± 0.13 ų
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0817
• Goodness-of-fit parameter for all reflections: 1.3
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No