Information card for entry 1508911

Structure parameters

• Common name: "consanguine of 3c" in manuscript
• Formula: C36 H48 N2 S Si2
• Calculated formula: C36 H48 N2 S Si2
• SMILES: [Si](C#Cc1c2nsnc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc3ccccc3cc12)(C(C)C)(C(C)C)C(C)C
• Title of publication: From thia- to selenadiazoles: changing interaction priority.
• Authors of publication: Lindner, Benjamin D.; Coombs, Benjamin A.; Schaffroth, Manuel; Engelhart, Jens U.; Tverskoy, Olena; Rominger, Frank; Hamburger, Manuel; Bunz, Uwe H. F.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 666 - 669
• a: 8.2003 ± 0.0008 Å
• b: 13.1453 ± 0.0014 Å
• c: 17.1892 ± 0.0016 Å
• α: 78.043 ± 0.003°
• β: 81.532 ± 0.003°
• γ: 80.552 ± 0.003°
• Cell volume: 1775.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1296
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No