Information card for entry 7202618

Structure parameters

• Formula: C53 H82 O7
• Calculated formula: C53 H82 O7
• Title of publication: Self-assembled monolayers as two-dimensional crystals: relationship to three-dimensional crystals
• Authors of publication: Edwin C. Constable; Marc Häusler; B. A. Hermann; Catherine E. Housecroft; Markus Neuburger; Silvia Schaffner; Lukas J. Scherer
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 176
• a: 10.4631 ± 0.0002 Å
• b: 15.6769 ± 0.0004 Å
• c: 16.462 ± 0.0005 Å
• α: 100.759 ± 0.0014°
• β: 104.014 ± 0.0014°
• γ: 101.721 ± 0.0016°
• Cell volume: 2484.93 ± 0.11 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0729
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No