Information card for entry 7101974

Structure parameters

• Formula: C62 H114 Al2 Li2 N2 O8
• Calculated formula: C62 H114 Al2 Li2 N2 O8
• Title of publication: Lewis base stabilized lithium TMP-aluminates: an unexpected fragmentation and capture reaction involving cyclic ether 1,4-dioxane
• Authors of publication: García-Álvarez, Joaquín; Hevia, Eva; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 23
• Pages of publication: 2402 - 2404
• a: 11.8338 ± 0.0004 Å
• b: 11.8351 ± 0.0003 Å
• c: 13.8446 ± 0.0004 Å
• α: 111.793 ± 0.002°
• β: 95.568 ± 0.002°
• γ: 101.398 ± 0.002°
• Cell volume: 1733.71 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No