Information card for entry 1508173

Structure parameters

• Formula: C144 H110 Cl2 O6
• Calculated formula: C144 H110 Cl2 O6
• SMILES: O1Cc2cc3c4cc(cc(c4)C#Cc4cccc5c4cc4c(c5)cccc4C#Cc4cc(cc(c4)c4cc5cc(c4)c4cc(cc(c4)C#Cc4cccc6c4cc4c(C#Cc7cc(c8cc(cc(COC(=O)c9cc(cc(C1=O)c9)C(=O)OC5)c8)c1cc(cc(c1)C)C#Cc1cccc5c1cc1c(c5)cccc1C#Cc1cc(cc(c(c2)c3)c1)C)cc(c7)C)cccc4c6)C)C)C.Clc1ccccc1Cl.CCCCCC.CCCCCC
• Title of publication: A two-dimensional polymer prepared by organic synthesis.
• Authors of publication: Kissel, Patrick; Erni, Rolf; Schweizer, W. Bernd; Rossell, Marta D.; King, Benjamin T.; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji
• Journal of publication: Nature chemistry
• Year of publication: 2012
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 287 - 291
• a: 12.5392 ± 0.0004 Å
• b: 21.844 ± 0.0005 Å
• c: 22.5292 ± 0.0006 Å
• α: 61.234 ± 0.002°
• β: 88.2978 ± 0.0012°
• γ: 89.8086 ± 0.0014°
• Cell volume: 5406.5 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.185
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2042
• Weighted residual factors for all reflections included in the refinement: 0.2533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No