Information card for entry 7108381

Structure parameters

• Formula: C19 H22 N O2 Rh
• Calculated formula: C19 H22 N O2 Rh
• SMILES: [Rh]1234567([c]8(CCN9C(=O)C=CC9=O)[cH]1[cH]2[cH]3[cH]48)[CH]1CC[CH]5=[CH]6CC[CH]7=1
• Title of publication: A rhodium complex-linked beta-barrel protein as a hybrid biocatalyst for phenylacetylene polymerization
• Authors of publication: Akira Onoda; Kazuki Fukumoto; Marcus Arlt; Marco Bocola; Ulrich Schwaneberg; Takashi Hayashi
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9756
• a: 6.3936 ± 0.0002 Å
• b: 11.9067 ± 0.0004 Å
• c: 21.0945 ± 0.0006 Å
• α: 90°
• β: 91.975 ± 0.001°
• γ: 90°
• Cell volume: 1604.9 ± 0.09 ų
• Cell temperature: 108.1 K
• Ambient diffraction temperature: 108.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No