Information card for entry 8100761

Structure parameters

• Formula: C18 H24 B Br F2 N2
• Calculated formula: C18 H24 B Br F2 N2
• SMILES: BrCCCCCC1=C2[N]([B](F)(F)n3c(cc(c13)C)C)=C(C=C2C)C
• Title of publication: Crystal structure of 8-(5-bromopentyl)-4,4-difluoro-1,3,5,7-tetramethyl- 4-bora-3a,4a-diaza-s-indacene, C~18~H~24~BBrF~2~N~2~
• Authors of publication: Euler, H.; Kirfel, A.; Freudenthal, S.J.; Müller, C.E.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 4
• Pages of publication: 543 - 545
• a: 13.6457 ± 0.0016 Å
• b: 13.9735 ± 0.0019 Å
• c: 10.3344 ± 0.0018 Å
• α: 95.491 ± 0.013°
• β: 90.764 ± 0.012°
• γ: 106.724 ± 0.009°
• Cell volume: 1876.8 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No