Information card for entry 2012840

Structure parameters

• Chemical name: (4-nitrophenylsulfonylmethyl)triphenylstannane
• Formula: C25 H21 N O4 S Sn
• Calculated formula: C25 H21 N O4 S Sn
• SMILES: N(=O)(=O)c1ccc(cc1)S(=O)(=O)C[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (4-Nitrophenylsulfanylmethyl)triphenylstannane and (4-nitrophenylsulfonylmethyl)triphenylstannane: <i>R</i>f̱{_2^2}(<i>X</i>) rings (<i>X</i> is 10, 18 or 24) and C—H···π interactions
• Authors of publication: Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m413 - m417
• a: 6.8715 ± 0.0004 Å
• b: 9.968 ± 0.0005 Å
• c: 17.6403 ± 0.001 Å
• α: 81.0264 ± 0.0019°
• β: 89.4798 ± 0.0019°
• γ: 72.5146 ± 0.0017°
• Cell volume: 1137.42 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes