Information card for entry 2102512

Structure parameters

• Chemical name: (R*,R*)-4,4'-Bi(1-t-butylcyclohexen-3-one)
• Formula: C20 H30 O2
• Calculated formula: C20 O2
• SMILES: O=C1C=C(CC[C@H]1[C@@H]1CCC(=CC1=O)C(C)(C)C)C(C)(C)C.O=C1C=C(CC[C@@H]1[C@H]1CCC(=CC1=O)C(C)(C)C)C(C)(C)C
• Title of publication: 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum
• Authors of publication: Prof. Clemente Dore Augusto; Prof. Marzotto Armando
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: 287 - 292
• a: 27.869 ± 0.001 Å
• b: 5.771 ± 0.003 Å
• c: 11.758 ± 0.005 Å
• α: 90°
• β: 91.43 ± 0.01°
• γ: 90°
• Cell volume: 1890.5 ± 1.3 ų
• Cell temperature: 0 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoK\α
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No