Information card for entry 5000034

Structure parameters

• Formula: C9 H8 O4
• Calculated formula: C9 H8 O4
• Title of publication: Structure redetermination and packing analysis of aspirin crystal
• Authors of publication: Kim, Y.; Machida, K.; Taga, T.; Osaki, K.
• Journal of publication: Chemical & pharmaceutical bulletin
• Year of publication: 1985
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 2641 - 2647
• a: 11.43 ± 0.001 Å
• b: 6.591 ± 0.001 Å
• c: 11.395 ± 0.002 Å
• α: 90°
• β: 95.68 ± 0.01°
• γ: 90°
• Cell volume: 854.23 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No