Information card for entry 7053735

Structure parameters

• Formula: C78 H110 N2 O12
• Calculated formula: C78 H104 N2 O12
• Title of publication: Graftable chiral ligands for surface organometallic materials: calixarenes bearing asymmetric centers directly attached to the lower rim
• Authors of publication: Solovyov, Andrew; Notestein, Justin M.; Durkin, Kathleen A.; Katz, Alexander
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 8
• Pages of publication: 1314
• a: 13.17 ± 0.001 Å
• b: 19.498 ± 0.002 Å
• c: 14.88 ± 0.002 Å
• α: 90°
• β: 107.687 ± 0.002°
• γ: 90°
• Cell volume: 3640.4 ± 0.7 ų
• Cell temperature: 180.2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.674
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No