Information card for entry 2202205

Structure parameters

• Chemical name: 7,16-dioxatetracyclo(16.2^4,5^.2^21,22^.2^23,24^.0^9,14^)-tetracosa- 1,3,5,9,11,13,17,19,21,23-decaene
• Formula: C22 H18 O2
• Calculated formula: C22 H18 O2
• SMILES: O1Cc2ccccc2COc2ccc(cc2)C=Cc2ccc1cc2
• Title of publication: 7,16-Dioxatetracyclo[16.2^4,5^.2^21,22^.2^23,24^.0^9,14^]tetracosa-1,3,5,9,11,13,17,19,21,23-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: o293 - o295
• a: 13.3086 ± 0.0007 Å
• b: 5.8168 ± 0.0003 Å
• c: 20.8145 ± 0.0011 Å
• α: 90°
• β: 95.463 ± 0.001°
• γ: 90°
• Cell volume: 1604 ± 0.15 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• 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: 0.1329
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes