Information card for entry 1502976

Structure parameters

• Formula: C36 H24 O8
• Calculated formula: C36 H24 O8
• SMILES: O(CC1=CC#CC#CC=C(C#CC#CC(=CC#CC#CC=C(C#CC#C1)COC(=O)C)COC(=O)C)COC(=O)C)C(=O)C
• Title of publication: Nanochannel array within a multilayered network of a planarized dehydro[24]annulene.
• Authors of publication: Suzuki, Mitsuharu; Comito, Angelo; Khan, Saeed I.; Rubin, Yves
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 2346 - 2349
• a: 12.4522 ± 0.0009 Å
• b: 12.4742 ± 0.0009 Å
• c: 19.6932 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3059 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No