Information card for entry 7052004

Structure parameters

• Common name: acridine-bromopentafluorobenzene 1/1
• Chemical name: acridine-bromopentafluorobenzene 1/1
• Formula: C19 H9 Br F5 N
• Calculated formula: C19 H9 Br F5 N
• SMILES: Brc1c(F)c(F)c(F)c(F)c1F.n1c2c(cccc2)cc2c1cccc2
• Title of publication: A cocrystallisation-based strategy to construct isostructural solids
• Authors of publication: Cinčić, Dominik; Friščić, Tomislav; Jones, William
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 10
• Pages of publication: 1776
• a: 17.0193 ± 0.0007 Å
• b: 7.2045 ± 0.0002 Å
• c: 14.7399 ± 0.0003 Å
• α: 90°
• β: 116.535 ± 0.001°
• γ: 90°
• Cell volume: 1616.96 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No