Information card for entry 8100865

Structure parameters

• Formula: C14 H20 B N
• Calculated formula: C14 H20 B N
• SMILES: [C@@H]12[N](CCC=C1C[C@H]2c1ccccc1)(C)[BH3].[C@H]12[N](CCC=C1C[C@@H]2c1ccccc1)(C)[BH3]
• Title of publication: Crystal structure of (1α,2β,8α)-2-methyl-8-phenyl- 2-azabicyclo[4.2.0]oct-5-ene(N-B)boran, (C~6~H~5~)C~7~H~9~N(CH~3~) (BH~3~)
• Authors of publication: Peters, E.-M.; Peters, K.; Groetsch, S.; Christl, M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 1
• Pages of publication: 121 - 122
• a: 11.131 ± 0.001 Å
• b: 7.964 ± 0.001 Å
• c: 14.845 ± 0.002 Å
• α: 90°
• β: 91.27 ± 0.01°
• γ: 90°
• Cell volume: 1315.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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