Information card for entry 4029807

Structure parameters

• Formula: C153.5 H106 Cl8.18
• Calculated formula: C153.5 H106 Cl8.1776
• SMILES: c1(c2c(c3cc(c4c(c(c(c(c4c4ccccc4)c4ccccc4)c4ccccc4)c4ccccc4)c4ccccc4)ccc3)cccc2)cc(cc(c1)c1c(c2cc(c3c(c(c(c(c3c3ccccc3)c3ccccc3)c3ccccc3)c3ccccc3)c3ccccc3)ccc2)cccc1)c1c(c2cc(c3c(c(c(c(c3c3ccccc3)c3ccccc3)c3ccccc3)c3ccccc3)c3ccccc3)ccc2)cccc1.ClCCl.ClCCl.ClCCl.ClCCl
• Title of publication: From Branched Hydrocarbon Propellers toC3-Symmetric Graphite Disks.
• Authors of publication: Wu, Jishan; Tomović, Željko; Enkelmann, Volker; Müllen, Klaus
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Journal issue: 23
• Pages of publication: 8176
• a: 14.229 ± 0.0007 Å
• b: 18.035 ± 0.0007 Å
• c: 25.137 ± 0.0009 Å
• α: 72.471 ± 0.0015°
• β: 88.187 ± 0.0012°
• γ: 80.469 ± 0.0013°
• Cell volume: 6065.1 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 0.6753
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No