Information card for entry 7202314

Structure parameters

• Common name: tris(4-(3-pyridyl)phenylester)cyclotriguaiacylene
• Chemical name: tris{4-(3-pyridyl)phenylester)cyclotriguaiacylene
• Formula: C62.5 H47.5 Cl7.5 N3 O9
• Calculated formula: C62.49 H46.99 Cl7.5 N3 O9
• Title of publication: Extended 36 and 63 arrays of capsule motifs using ligand tris{4-(3-pyridyl)phenylester}cyclotriguaiacylene
• Authors of publication: Ronson, Tanya K.; Hardie, Michaele J.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 1731
• a: 16.666 ± 0.0007 Å
• b: 16.666 ± 0.0007 Å
• c: 38.157 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9178.4 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No