Information card for entry 7117314

Structure parameters

• Formula: C45 H36 O4
• Calculated formula: C45 H36 O4
• SMILES: c12cc3C4(c5c(cccc5)c3cc2Cc2ccccc2O1)c1cc2Oc3c(Cc2cc1c1c4cccc1)cccc3.O=C(C)C.O=C(C)C
• Title of publication: Exact helical polymer synthesis by a two-point-covalent-linking protocol between C2-chiral spirobifluorene and C2- or Cs-symmetric anthraquinone monomers
• Authors of publication: Zhaozhong Yi; Hitoshi Okuda; Yasuhito Koyama; Ryota Seto; Satoshi Uchida; Hiromitsu Sogawa; Shigeki Kuwata; Toshikazu Takata
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 10423
• a: 20.81 ± 0.005 Å
• b: 13.789 ± 0.003 Å
• c: 12.317 ± 0.003 Å
• α: 90°
• β: 90.752 ± 0.004°
• γ: 90°
• Cell volume: 3534 ± 1.4 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No