Information card for entry 7158599

Structure parameters

• Formula: C16 H26 N2 O3 S
• Calculated formula: C16 H26 N2 O3 S
• Title of publication: A stereochemical journey around spirocyclic glutamic acid analogs
• Authors of publication: Chernykh, Anton V.; Chernykh, Alla V.; Radchenko, Dmytro S.; Chheda, Pratik Rajesh; Rusanov, Eduard B.; Grygorenko, Oleksandr O.; Spies, M. Ashley; Volochnyuk, Dmitriy M.; Komarov, Igor V.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 9.675 ± 0.002 Å
• b: 8.97 ± 0.002 Å
• c: 11.079 ± 0.003 Å
• α: 90°
• β: 112.311 ± 0.009°
• γ: 90°
• Cell volume: 889.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No