Information card for entry 8100638

Structure parameters

• Formula: C15 H12 Br2 Cl3 N
• Calculated formula: C15 H12 Br2 Cl3 N
• SMILES: BrCc1cccc2cc3c([nH+]c12)cccc3.[Br-].ClC(Cl)Cl
• Title of publication: Crystal structure of 4-bromomethyl-acridinium bromide—chloroform (1:1), C~15~H~12~Br~2~Cl~3~N
• Authors of publication: Chiron, J.; Galy, J.-P.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 2
• Pages of publication: 287 - 288
• a: 10.7811 ± 0.0004 Å
• b: 9.1048 ± 0.0004 Å
• c: 17.7633 ± 0.0008 Å
• α: 90°
• β: 102.875 ± 0.003°
• γ: 90°
• Cell volume: 1699.8 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No