Information card for entry 7215245

Structure parameters

• Common name: 4p3tc
• Chemical name: rctt-1,3-bis(4-pyridyl)-2,4-bis(3-thienyl) cyclobutane
• Formula: C22 H18 N2 S2
• Calculated formula: C22 H18 N2 S2
• Title of publication: Head-to-tail photodimerization of a thiophene in a co-crystal and a rare adipic acid dimer in the presence of a heterosynthon
• Authors of publication: Hutchins, Kristin M.; Sumrak, Joseph C.; Swenson, Dale C.; MacGillivray, Leonard R.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 5762
• a: 11.6886 ± 0.0012 Å
• b: 15.1755 ± 0.0015 Å
• c: 12.1662 ± 0.0012 Å
• α: 90°
• β: 117.334 ± 0.005°
• γ: 90°
• Cell volume: 1917.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0822
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No