Information card for entry 7235597

Structure parameters

• Formula: C28 H22 Br4 N2 O2 S4
• Calculated formula: C28 H21.1 Br4 N2 O2 S4
• Title of publication: Selective bromination of 2,5-bis(2-thienyl)pyrroles and solid-state polymerization through the β-carbon of pyrrole
• Authors of publication: Pati, Palas Baran; Zade, Sanjio S.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 33
• Pages of publication: 17022
• a: 14.0099 ± 0.0011 Å
• b: 10.9631 ± 0.0011 Å
• c: 21.397 ± 0.002 Å
• α: 90°
• β: 105.274 ± 0.002°
• γ: 90°
• Cell volume: 3170.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1102
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No