Information card for entry 4509236

Structure parameters

• Formula: C32 H34 O6
• Calculated formula: C32 H34 O6
• SMILES: O(c1c(cc(OCCOCCOC)c(c1)C#Cc1ccccc1)C#Cc1ccccc1)CCOCCOC
• Title of publication: Rigidity−Stability Relationship in Interlocked Model Complexes Containing Phenylene-Ethynylene-Based Disubstituted Naphthalene and Benzene
• Authors of publication: Yoon, Il; Benítez, Diego; Miljanić, Ognjen Š.; Zhao, Yan-Li; Tkatchouk, Ekaterina; Goddard, William A.; Stoddart, J. Fraser
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 2300
• a: 9.675 ± 0.002 Å
• b: 10.145 ± 0.003 Å
• c: 14.934 ± 0.004 Å
• α: 97.226 ± 0.004°
• β: 96.57 ± 0.005°
• γ: 94.312 ± 0.004°
• Cell volume: 1438.6 ± 0.6 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: 0.2853
• Residual factor for significantly intense reflections: 0.1123
• Weighted residual factors for significantly intense reflections: 0.3766
• Weighted residual factors for all reflections included in the refinement: 0.4435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No