Information card for entry 4107428

Structure parameters

• Formula: C69 H70 N8 O12
• Calculated formula: C69 H70 N8 O12
• SMILES: C1NC(=O)c2cc(ccc2)C(=O)NCc2ccc(cc2)CNC(=O)c2cc(ccc2)C(=O)NCc2ccc1cc2.N(C(=O)/C=C/C(=O)NCC(O)CNC(=O)/C=C/C(=O)N(Cc1ccccc1)c1ccccc1)(Cc1ccccc1)c1ccccc1.O.O.O
• Title of publication: A Chemically-Driven Molecular Information Ratchet
• Authors of publication: Mónica Alvarez-Pérez; Stephen M. Goldup; David A. Leigh; Alexandra M. Z. Slawin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1836 - 1838
• a: 17.467 ± 0.008 Å
• b: 19.302 ± 0.009 Å
• c: 20.928 ± 0.009 Å
• α: 90°
• β: 90.49 ± 0.02°
• γ: 90°
• Cell volume: 7056 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1905
• Residual factor for significantly intense reflections: 0.1633
• Weighted residual factors for significantly intense reflections: 0.4264
• Weighted residual factors for all reflections included in the refinement: 0.4514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.61
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No