Information card for entry 4507178

Structure parameters

• Chemical name: Lithium D-isoascorbate
• Formula: C6 H9 Li O7
• Calculated formula: C6 H9 Li O7
• Title of publication: Lithiumd-Isoascorbate Monohydrate, a New Nonlinear Optical Material
• Authors of publication: Rao, K. Raghavendra; Aneesh, C.; Bhat, H. L.; Elizabeth, Suja; Pavan, M. S.; Guru Row, Tayur N.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 97
• a: 7.7839 ± 0.0003 Å
• b: 8.7456 ± 0.0003 Å
• c: 11.0365 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 751.31 ± 0.05 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No