Information card for entry 4022982

Structure parameters

• Formula: C42 H27 N3
• Calculated formula: C42 H27 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: 10.188 ± 0.004 Å
• b: 11.488 ± 0.004 Å
• c: 12.96 ± 0.005 Å
• α: 83.02 ± 0.03°
• β: 76.48 ± 0.03°
• γ: 83.77 ± 0.02°
• Cell volume: 1458.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1835
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.1994
• Weighted residual factors for all reflections included in the refinement: 0.2365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No