Information card for entry 2202204

Structure parameters

• Chemical name: 7,14-Dioxatetracyclo(14.2^4,5^.2^19,20^.2^21,22^.2^23,24^)tetracosa- 1,3,5,9,11,15,17,19,21,23-decaene
• Formula: C22 H18 O2
• Calculated formula: C22 H18 O2
• SMILES: O1Cc2ccc(cc2)COc2ccc(cc2)C=Cc2ccc1cc2
• Title of publication: 7,14-Dioxatetracyclo[14.2^4,5^.2^19,20^.2^21,22^.2^23,24^]tetracosa-1,3,5,9,11,15,17,19,21,23-decaene
• Authors of publication: T. Ravishankar; K. Chinnakali; P. Rajakumar; V. Murali; Anwar Usman; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o290 - o292
• a: 9.5687 ± 0.0002 Å
• b: 10.5926 ± 0.0002 Å
• c: 16.696 ± 0.0002 Å
• α: 90°
• β: 95.423 ± 0.001°
• γ: 90°
• Cell volume: 1684.69 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1297
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes