Information card for entry 7100473

Structure parameters

• Formula: C11 H13 B Cl N
• Calculated formula: C11 H13 B Cl N
• SMILES: Cl[B@]1([n]2ccccc2)C=CC(=CC1)C
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 6.967 ± 0.003 Å
• b: 11.28 ± 0.006 Å
• c: 13.635 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1071.5 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No