Information card for entry 4511663

Structure parameters

• Formula: C15 H10 B Li N O4
• Calculated formula: C14 H13 B Li N O5
• Title of publication: Structural Features of Lithium Organoborates
• Authors of publication: Downard, Andrew; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; van den Berg, Jan-Albert; Schmidt, Michael A.; Vaughan, Julian F. S.; Welz-Biermann, Urs
• Journal of publication: Crystal Growth & Design
• Year of publication: 2002
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 111
• a: 7.8764 ± 0.0008 Å
• b: 7.9089 ± 0.0008 Å
• c: 12.3566 ± 0.0013 Å
• α: 106.212 ± 0.002°
• β: 90.475 ± 0.002°
• γ: 94.864 ± 0.002°
• Cell volume: 736.06 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0953
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No