Information card for entry 2009612

Structure parameters

• Chemical name: 1,3,5-Tris[3-(2,6,6-triméthyl-1-cyclohexen-1-yl)acryloyle]benzène
• Formula: C42 H54 O3
• Calculated formula: C42 H54 O3
• SMILES: CC1=C(/C=C/C(=O)c2cc(cc(c2)C(=O)/C=C/C2=C(C)CCCC2(C)C)C(=O)/C=C/C2=C(C)CCCC2(C)C)C(CCC1)(C)C
• Title of publication: 1,3,5-Tris[3-(2,6,6-triméthyl-1-cyclohexen-1-yl)acryloyle]benzène
• Authors of publication: Ginderow, Daria; Valla, Alain; Andriamialisoa, Zo; Giraud, Michel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 574 - 576
• a: 12.509 ± 0.005 Å
• b: 13.139 ± 0.005 Å
• c: 12.197 ± 0.005 Å
• α: 109.77 ± 0.04°
• β: 104.77 ± 0.04°
• γ: 96.42 ± 0.04°
• Cell volume: 1780.4 ± 1.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.063
• Goodness-of-fit parameter for significantly intense reflections: 3.892
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: radiation:CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No