Information card for entry 5000055

Structure parameters

• Formula: C8 H8 O3
• Calculated formula: C8 H8 O3
• Title of publication: Vanillin-I
• Authors of publication: Velavan, R.; Sureshkumar, P.; Sivakumar, K.; Natarajan, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 1131 - 1133
• a: 14.049 ± 0.001 Å
• b: 7.874 ± 0.0008 Å
• c: 15.017 ± 0.001 Å
• α: 90°
• β: 115.45 ± 0.01°
• γ: 90°
• Cell volume: 1500.01 ų
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Duplicate of: 2003578
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No