Information card for entry 1100196

Structure parameters

• Chemical name: 1-(2-Hydroxyprop-2-yl)pyrene
• Formula: C19 H16 O
• Calculated formula: C19 H16 O
• SMILES: CC(c1ccc2c3c1ccc1c3c(cc2)ccc1)(O)C
• Authors of publication: K.Harms; M.Marsch
• Journal of publication: Private Communication
• Year of publication: 2000
• a: 30.5918 ± 0.0013 Å
• b: 30.5918 ± 0.0013 Å
• c: 7.7464 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6278.28 ų
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for significantly intense reflections: 5.07
• Weighted residual factors for significantly intense reflections: 5.07
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No