Information card for entry 8107658

Structure parameters

• Formula: C12 H14 Li N O5
• Calculated formula: C12 H14 Li N O5
• Title of publication: Crystal structure of poly[(μ-benzoato)-(μ-cis-4–hydroxy-D-proline)lithium], C12H14LiNO5
• Authors of publication: Yin, Dejing; Wang, Lingling; Yuan, Zhenbo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 6
• Pages of publication: 1055 - 1056
• a: 5.1481 ± 0.0004 Å
• b: 8.9342 ± 0.0007 Å
• c: 25.733 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1183.57 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0648
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: Cukα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No