Information card for entry 7210454

Structure parameters

• Formula: C7 H6 O2
• Calculated formula: C7 H6 O2
• SMILES: OC(=O)c1ccccc1
• Title of publication: Modeling the morphology of benzoic acid crystals grown from aqueous solution
• Authors of publication: Schmidt, Christiane; Yürüdü, Caner; Wachsmuth, Anika; Ulrich, Joachim
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 1159 - 1169
• a: 5.5 Å
• b: 5.128 Å
• c: 21.95 Å
• α: 90°
• β: 97.37°
• γ: 90°
• Cell volume: 613.963 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