Information card for entry 4022983

Structure parameters

• Formula: C33 H21 Cu I N3
• Calculated formula: C33 H21 Cu I N3
• Title of publication: Synthesis and Structural Investigation of New Triptycene-Based Ligands: En Route to Shape-Persistent Dendrimers and Macrocycles with Large Free Volume
• Authors of publication: Jonathan H. Chong; Mark J. MacLachlan
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 8683 - 8690
• a: 20.034 ± 0.003 Å
• b: 8.3663 ± 0.0011 Å
• c: 35.981 ± 0.006 Å
• α: 90°
• β: 98.168 ± 0.007°
• γ: 90°
• Cell volume: 5969.5 ± 1.6 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No