Information card for entry 2209169

Structure parameters

• Common name: phencyclone
• Chemical name: 1,3-Diphenyl-2H-cyclopenta[l]phenanthren-2-one
• Formula: C29 H18 O
• Calculated formula: C29 H18 O
• SMILES: O=c1c(c2ccccc2)c2c3ccccc3c3ccccc3c2c1c1ccccc1
• Title of publication: 1,3-Diphenyl-2<i>H</i>-cyclopenta[<i>l</i>]phenanthren-2-one
• Authors of publication: Ruffani, Alexander; Schwarzer, Anke; Weber, Edwin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2281 - o2282
• a: 10.4562 ± 0.0003 Å
• b: 10.5242 ± 0.0003 Å
• c: 10.5842 ± 0.0003 Å
• α: 60.96 ± 0.001°
• β: 70.15 ± 0.001°
• γ: 89.446 ± 0.002°
• Cell volume: 940.59 ± 0.05 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes