Information card for entry 2005591

Structure parameters

• Formula: C25 H29 N O3 Sn
• Calculated formula: C25 H29 N O3 Sn
• SMILES: [Sn](c1n(cc(c1C(=O)c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C)(C)(C)C
• Title of publication: An Unexpected Trimethylstannylpyrrole from a Stannylated Derivative of Tosylmethyl Isocyanide (TosMIC) and Chalcone
• Authors of publication: Meetsma, A.; Dijkstra, H. P.; ten Have, R.; van Leusen, A. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2747 - 2750
• a: 13.495 ± 0.001 Å
• b: 9.666 ± 0.01 Å
• c: 19.718 ± 0.001 Å
• α: 90°
• β: 109.108 ± 0.005°
• γ: 90°
• Cell volume: 2430 ± 3 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for all reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.0586
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No