Information card for entry 7202032

Structure parameters

• Chemical name: 3,4:9,10:18,19:27,28-Tetrabenzo-5,8,20,23,26-pentaoxatricyclo[28.3.1.1(12,16)]- pentatriaconta-1(34),3,9,12,14,16(35),18,27,30,32-decaene-34,35-diol chloroform solvate
• Formula: C94 H90 Cl6 O14
• Calculated formula: C94 H90 Cl6 O14
• 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: 12.115 ± 0.0003 Å
• b: 22.3638 ± 0.0005 Å
• c: 30.838 ± 0.0008 Å
• α: 90°
• β: 92.377 ± 0.001°
• γ: 90°
• Cell volume: 8348 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2959
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No