Information card for entry 1519359

Structure parameters

• Formula: C44 H50 N2 O6
• Calculated formula: C44 H50 N2 O6
• SMILES: O(c1c2ccccc2cc2ccccc12)CCN1CCOCCOCCN(CCOc2c3ccccc3cc3ccccc23)CCOCCOCC1
• Title of publication: 4,13-bis(2-(9-Anthryloxy)ethyl)-4,13-diaza-[18]crown-6
• Authors of publication: Hursthouse, Michael B.; Coles, Simon J.; Desvergne, J. -P.; Bouas-Laurent, H.; Tucker, J. H. R.; McSkimming, G.; Light, Mark E.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 91
• a: 10.579 ± 0.002 Å
• b: 17.772 ± 0.004 Å
• c: 10.1254 ± 0.0016 Å
• α: 90°
• β: 93.545 ± 0.006°
• γ: 90°
• Cell volume: 1900 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.3258
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No