Information card for entry 7212381

Structure parameters

• Common name: (1E,11E,16Z,27Z)-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 solvate
• Chemical name: (1E,11E,16Z,27Z)-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 solvate
• Formula: C23.5 H22 Cl3 O3
• Calculated formula: C23.5 H22 Cl3.01 O3
• Title of publication: Closing the cavity: reactive and light switchable dienone-ether macrocycles
• Authors of publication: Higham, Luke T.; Scott, Janet L.; Strauss, Christopher R.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2803
• a: 15.2347 ± 0.0005 Å
• b: 9.1731 ± 0.0003 Å
• c: 16.4115 ± 0.0007 Å
• α: 90°
• β: 91.89 ± 0.03°
• γ: 90°
• Cell volume: 2292.25 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.3581
• Residual factor for significantly intense reflections: 0.1515
• Weighted residual factors for significantly intense reflections: 0.4033
• Weighted residual factors for all reflections included in the refinement: 0.4895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No