Information card for entry 4131153

Structure parameters

• Formula: C18 H14 Br2 O2
• Calculated formula: C18 H14 Br2 O2
• SMILES: Brc1ccc(C2(O)C=CC(O)(C=C2)c2ccc(Br)cc2)cc1
• Title of publication: A New Solution to an Old Problem: Synthesis of Unsubstituted Poly(para-phenylene).
• Authors of publication: Abdulkarim, Ali; Hinkel, Felix; Jänsch, Daniel; Freudenberg, Jan; Golling, Florian E.; Müllen, Klaus
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 50
• Pages of publication: 16208 - 16211
• a: 15.1229 ± 0.001 Å
• b: 12.2107 ± 0.0006 Å
• c: 9.0045 ± 0.0006 Å
• α: 90°
• β: 101.217 ± 0.005°
• γ: 90°
• Cell volume: 1631.02 ± 0.18 ų
• Cell temperature: 193 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
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No