Information card for entry 7201392

Structure parameters

• Formula: ?
• Calculated formula: C128 H144 N16 O32
• Title of publication: Can crystal structure prediction guide experimentalists to a new polymorph of paracetamol?
• Authors of publication: Neumann, Marcus Aurelius; Perrin, Marc-Antoine
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2475
• a: 15.581235 Å
• b: 8.226829 Å
• c: 23.03509 Å
• α: 90°
• β: 90.0693°
• γ: 90°
• Cell volume: 2952.73 ų
• 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
• Method of determination: theoretical
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No