Information card for entry 1512746

Structure parameters

• Formula: C43 H57 N3 O2 Sr
• Calculated formula: C43 H57 N3 O2 Sr
• SMILES: [Sr]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)(Oc1c(cccc1C(C)(C)C)C(C)(C)C)Oc1c(cccc1C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and characterization of the heavy alkaline earth aryloxide congeners
• Authors of publication: Timothy J. Boyle; Leigh Anna M. Steele; Alia Saad
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 259 - 268
• a: 15.9769 ± 0.0019 Å
• b: 18.674 ± 0.002 Å
• c: 27.258 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8132.5 ± 1.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No