Information card for entry 7110774

Structure parameters

• Formula: C36 H51 O3 Re
• Calculated formula: C36 H51 O3 Re
• SMILES: [Re]1234([c]5([cH]4[cH]3[cH]2[cH]15)[C@]1(CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@H](C)CCCC(C)C)C)C)C)(C#[O])(C#[O])C#[O]
• Title of publication: New and efficient routes to CpRe(CO)3 substituted steroids
• Authors of publication: Le Bideau, Franck; Kaloum, El Bachir; Haquette, Pierre; Kernbach, Ulrich; Stephan, Elie; Top, Siden; Vessières, Anne; Jaouen, Gérard; Marrot, Jérôme
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 3
• Pages of publication: 211
• a: 14.992 Å
• b: 7.1841 ± 0.0001 Å
• c: 15.4819 ± 0.0002 Å
• α: 90°
• β: 92.427 ± 0.001°
• γ: 90°
• Cell volume: 1665.97 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0623
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No