Information card for entry 4303300

Structure parameters

• Formula: C37 H52 N2 O4 Sn
• Calculated formula: C37 H52 N2 O4 Sn
• SMILES: [Sn]1([N](c2c(cccc2C(C)C)C(C)C)=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)/C(=C\C(=O)OCC)C(=O)OCC
• Title of publication: Hydrostannylation of Ketones and Alkynes with LSnH [L = HC(CMeNAr)2, Ar = 2,6-iPr2C6H3]
• Authors of publication: Anukul Jana; Herbert W. Roesky; Carola Schulzke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9543 - 9548
• a: 14.806 ± 0.003 Å
• b: 12.705 ± 0.003 Å
• c: 19.471 ± 0.004 Å
• α: 90°
• β: 102.38 ± 0.03°
• γ: 90°
• Cell volume: 3577.5 ± 1.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.1449
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No