Information card for entry 2213546

Structure parameters

• Chemical name: 2-(2-thienyl)-1,3-bis(2-thienylmethyl)perhydropyrimidine
• Formula: C18 H20 N2 S3
• Calculated formula: C18 H20 N2 S3
• SMILES: c1ccc(CN2C(c3cccs3)N(Cc3cccs3)CCC2)s1
• Title of publication: A tripodal tris(thiophene) derivative of hexahydropyrimidine and its ladder-like extended structure
• Authors of publication: Jaganyi, Deogratius; Mambanda, Allen; Munro, Orde Q.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2388 - o2390
• a: 15.4391 ± 0.0006 Å
• b: 5.9873 ± 0.0002 Å
• c: 19.5007 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1802.62 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes