Information card for entry 7152002

Structure parameters

• Formula: C38 H40 O4 S6
• Calculated formula: C18.6305 H19.6305 O2 S2.8695
• Title of publication: Cyclopenta[c]selenophene based cooligomers and their polymers: comparative study with thiophene analogues.
• Authors of publication: Das, Soumyajit; Bedi, Anjan; Krishna, G. Rama; Reddy, C. Malla; Zade, Sanjio S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 20
• Pages of publication: 6963 - 6972
• a: 5.8122 ± 0.0004 Å
• b: 17.1465 ± 0.0014 Å
• c: 36.266 ± 0.003 Å
• α: 90°
• β: 93.295 ± 0.001°
• γ: 90°
• Cell volume: 3608.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1638
• Residual factor for significantly intense reflections: 0.1515
• Weighted residual factors for significantly intense reflections: 0.4817
• Weighted residual factors for all reflections included in the refinement: 0.5028
• Goodness-of-fit parameter for all reflections included in the refinement: 2.401
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No