Information card for entry 7207697

Structure parameters

• Formula: C40 H58 Br2 N2 O
• Calculated formula: C40 H58 Br2 N2 O
• SMILES: [Br-].[Br-].[N+]1(C[C@@]2(C)[C@@H]3C=C[C@H](C2)C3)(CCCC1)Cc1ccccc1.[N+]1(C[C@@]2(C)C[C@@H]3C=C[C@H]2C3)(CCCC1)Cc1ccccc1.O
• Title of publication: An efficient recyclable peroxometalate-based polymer-immobilised ionic liquid phase (PIILP) catalyst for hydrogen peroxide-mediated oxidation
• Authors of publication: Doherty, Simon; Knight, Julian G.; Ellison, Jack R.; Weekes, David; Harrington, Ross W.; Hardacre, Christopher; Manyar, Haresh
• Journal of publication: Green Chemistry
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 925
• a: 11.814 ± 0.0005 Å
• b: 21.2181 ± 0.0011 Å
• c: 14.6684 ± 0.0006 Å
• α: 90°
• β: 95.337 ± 0.004°
• γ: 90°
• Cell volume: 3661 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No