Information card for entry 7202031

Structure parameters

• Chemical name: 3,4:9,10:18,19:25,26-Tetrabenzo-5,8,20,24-tetraoxa-tricyclo[26.3.1.1(12,16)] tritriaconta-1,3,9,11,16,18,25,27-octaene-32,33-dione chloroform water solvate
• Formula: C45.5 H44.5 Cl1.5 O7
• Calculated formula: C45.5 H44.5 Cl1.5 O7
• Title of publication: Platform technology for dienone and phenol‒formaldehyde architectures
• Authors of publication: Giarrusso, Marilena A.; Higham, Luke T.; Kreher, Ulf P.; Mohan, Ram S.; Rosamilia, Anthony E.; Scott, Janet L.; Strauss, Christopher R.
• Journal of publication: Green Chemistry
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 842
• a: 15.1785 ± 0.0002 Å
• b: 15.078 ± 0.0002 Å
• c: 16.5313 ± 0.0003 Å
• α: 90°
• β: 97.645 ± 0.001°
• γ: 90°
• Cell volume: 3749.75 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No