Information card for entry 1551479

Structure parameters

• Formula: C44 H14 F12
• Calculated formula: C44 H14 F12
• SMILES: C12c3cc4cc5c(c(c(c(c5cc4cc3C(c3cc4cc5c(c(c(c(c5cc4cc13)F)F)F)F)c1c2cc2cc3c(c(c(c(c3cc2c1)F)F)F)F)F)F)F)F
• Title of publication: A nanoporous two-dimensional polymer by single-crystal-to-single-crystal photopolymerization
• Authors of publication: Patrick Kissel; Daniel J. Murray; William J. Wulftange; Vincent J. Catalano; Benjamin T. King
• Journal of publication: Nature Chemistry
• Year of publication: 2014
• Journal volume: 6
• Pages of publication: 774 - 778
• a: 14.2786 ± 0.0006 Å
• b: 20.4647 ± 0.0009 Å
• c: 20.6937 ± 0.0009 Å
• α: 60.5 ± 0.001°
• β: 72.537 ± 0.001°
• γ: 85.477 ± 0.001°
• Cell volume: 5003 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No