Information card for entry 7119102

Structure parameters

• Common name: monomer of PIM-C1
• Formula: C47 H82 O5 Si4
• Calculated formula: C47 H82 O5 Si4
• SMILES: c12cc(c(c3COCc4c5C(c13)(CC(c5cc(c4O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)(C)C)CC2(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• Title of publication: The enhancement of chain rigidity and gas transport performance of polymers of intrinsic microporosity via intramolecular locking of the spiro-carbon
• Authors of publication: Jian Zhang; Hong Kang; Jacob Martin; Shouhai Zhang; Sylvie Thomas; Tim C. Merkel; Jianyong Jin
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6553
• a: 11.8267 ± 0.0006 Å
• b: 13.4665 ± 0.0007 Å
• c: 18.3608 ± 0.0009 Å
• α: 106.876 ± 0.003°
• β: 92.299 ± 0.003°
• γ: 109.501 ± 0.003°
• Cell volume: 2607.2 ± 0.2 ų
• Cell temperature: 372 ± 2 K
• Ambient diffraction temperature: 372 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No