Information card for entry 7027422

Structure parameters

• Formula: C74 H93 B2 Na2 O15
• Calculated formula: C74 H88 B2 Na2 O15
• Title of publication: Stabilisation of sodium complexes of 18-crown-6 by intramolecular hydrogen bonding †
• Authors of publication: Steed, Jonathan W.; Junk, Peter C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 13
• Pages of publication: 2141
• a: 13.4119 ± 0.0009 Å
• b: 13.9456 ± 0.001 Å
• c: 22.593 ± 0.0017 Å
• α: 77.532 ± 0.002°
• β: 74.082 ± 0.002°
• γ: 62.094 ± 0.002°
• Cell volume: 3572.1 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No