Information card for entry 4022938

Structure parameters

• Formula: C30 H41 Co O3
• Calculated formula: C30 H41 Co O3
• SMILES: [Co]12345678([C]9([C@]%10(O)[C@@]%11(CC[C@H](C%10)C%11(C)C)C)[C]1(=O)[C]2(=[CH]3[CH]4=9)[C@]1(O)[C@@]2(CC[C@H](C1)C2(C)C)C)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Synthesis of Terpene and Steroid Dimers and Trimers Having Cyclobutadienyl-Co and Aromatic Tethers
• Authors of publication: Miguel A. Sierra; M. Rosario Torres; María C. de la Torre; Elsa Álvaro
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 4213 - 4219
• a: 11.8062 ± 0.0014 Å
• b: 12.4626 ± 0.0016 Å
• c: 18.529 ± 0.003 Å
• α: 90°
• β: 108.153 ± 0.003°
• γ: 90°
• Cell volume: 2590.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2493
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.714
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No