Information card for entry 2004536

Structure parameters

• Formula: C6 H12 N2 O4
• Calculated formula: C6 H12 N2 O4
• SMILES: O=C1N[C@H](C(=O)N[C@H]1C)CO.O
• Title of publication: Cyclo(<small>L</small>-alanyl-<small>L</small>-seryl).H~2~O and Cyclo(glycyl-<small>L</small>-seryl)
• Authors of publication: Swenson, D. C.; Habermann, S. M.; Murphy, K. P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 383 - 387
• a: 5.222 ± 0.002 Å
• b: 8.389 ± 0.002 Å
• c: 4.759 ± 0.001 Å
• α: 93.04 ± 0.03°
• β: 102.59 ± 0.02°
• γ: 92.57 ± 0.02°
• Cell volume: 202.84 ± 0.1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections: 0.1346
• Weighted residual factors for significantly intense reflections: 0.1017
• Goodness-of-fit parameter for all reflections: 1.168
• Goodness-of-fit parameter for significantly intense reflections: 1.151
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No