Information card for entry 8100995

Structure parameters

• Formula: C7 H9 B O2
• Calculated formula: C7 H9 B O2
• SMILES: Cc1ccc(cc1)B(O)O
• Title of publication: Crystal structure of 4-methylphenylboronic acid, C~7~H~9~BO~2~
• Authors of publication: Zheng, Chong; Spielvogel, Bernard F.; Hosmane, Narayan S.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 3
• Pages of publication: 341 - 342
• a: 17.016 ± 0.005 Å
• b: 19.164 ± 0.005 Å
• c: 9.722 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3170 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No