Information card for entry 4101146

Structure parameters

• Formula: C17 H18 B N O2
• Calculated formula: C8.5 H9 B0.5 N0.5 O
• SMILES: [N]12([B]3(c4ccccc4C1)Oc1ccccc1O3)CCCC2
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 18.258 ± 0.0004 Å
• b: 9.55 ± 0.0003 Å
• c: 18.426 ± 0.0007 Å
• α: 90°
• β: 117.171 ± 0.0011°
• γ: 90°
• Cell volume: 2858.28 ± 0.15 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No