Information card for entry 7235336

Structure parameters

• Formula: C18 H21 N O4
• Calculated formula: C18 H21 N O4
• Title of publication: Conformationally restricted glutamic acid analogues: stereoisomers of 1-aminospiro[3.3]heptane-1,6-dicarboxylic acid
• Authors of publication: Chernykh, Anton V.; Radchenko, Dmytro S.; Grygorenko, Oleksandr O.; Volochnyuk, Dmitriy M.; Shishkina, Svitlana V.; Shishkin, Oleg V.; Komarov, Igor V.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 21
• Pages of publication: 10894
• a: 10.26 ± 0.003 Å
• b: 5.82 ± 0.002 Å
• c: 14.06 ± 0.004 Å
• α: 90°
• β: 98.37 ± 0.03°
• γ: 90°
• Cell volume: 830.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.3881
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.696
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No