Information card for entry 7213351

Structure parameters

• Common name: L-PGd-CS
• Chemical name: L-phenylglycine(1S)-(+)-camphor-10-sulfonate
• Formula: C18 H25 N O6 S
• Calculated formula: C18 H25 N O6 S
• SMILES: S(=O)(=O)([O-])C[C@@]12C(=O)C[C@@H](CC1)C2(C)C.O=C(O)[C@@H]([NH3+])c1ccccc1
• Title of publication: Crystal structure‒solubility relationships in optical resolution by diastereomeric salt formation of DL-phenylglycine with (1S )-(+)-camphor-10-sulfonic acid
• Authors of publication: Yoshioka, Ryuzo; Hiramatsu, Hajime; Okamura, Kimio; Tsujioka, Ikuko; Yamada, Shin-ichi
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 2121
• a: 24.943 ± 0.001 Å
• b: 7.053 ± 0.002 Å
• c: 11.366 ± 0.004 Å
• α: 90°
• β: 103.39 ± 0.03°
• γ: 90°
• Cell volume: 1945.2 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No