Information card for entry 2000248

Structure parameters

• Formula: C25 H18 Cl2 O
• Calculated formula: C25 H18 Cl2 O
• SMILES: C1(=O)C(=C([C@@]2([C@]1(C2(Cl)Cl)C)c1ccccc1)c1ccccc1)c1ccccc1.C1(=O)C(=C([C@]2([C@@]1(C2(Cl)Cl)C)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 6,6-Dichloro-1-methyl-3,4,5-triphenylbicyclo[3.1.0]hex-3-en-2-one and 3-chloro-2-methyl-4,5,6-triphenylphenol
• Authors of publication: Barnes, J. C.; Horspool, W. M.; Mackie, F. I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 9
• Pages of publication: 1881 - 1885
• a: 23.95 ± 0.02 Å
• b: 6.55 ± 0.006 Å
• c: 26.59 ± 0.02 Å
• α: 90°
• β: 96.4 ± 0.1°
• γ: 90°
• Cell volume: 4145 ± 6 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No