Information card for entry 2000182

Structure parameters

• Formula: C18 H15 Br O
• Calculated formula: C18 H15 Br O
• SMILES: Brc1ccc([C@@H]2[C@@H]3C(=O)CC[C@]23c2ccccc2)cc1.Brc1ccc([C@H]2[C@H]3C(=O)CC[C@@]23c2ccccc2)cc1
• Title of publication: Structure and photochemistry of a cyclohexenone and its solid-state photoproduct
• Authors of publication: Chen, J.; Hwang, C.; Scheffer, J. R.; Trotter, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 2417 - 2419
• a: 17.607 ± 0.004 Å
• b: 8.213 ± 0.002 Å
• c: 19.976 ± 0.005 Å
• α: 90°
• β: 93.09 ± 0.03°
• γ: 90°
• Cell volume: 2884.5 ± 1.2 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: 0.7093 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No