Information card for entry 7006432

Structure parameters

• Formula: C6 H9 N O3
• Calculated formula: C6 H9 N O3
• SMILES: O1C(=O)[C@@H](NC(=O)[C@@H]1C)C
• Title of publication: Comments on the ring-opening polymerization of morpholine-2,5-dione derivatives by various metal catalysts and characterization of the products formed in the reactions involving R2SnX2, where X = OPr(i) and NMe2 and R = Bu(n), Ph and p-Me2NC6H4.
• Authors of publication: Chisholm, M. H.; Galucci, J.; Krempner, C.; Wiggenhorn, C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 6
• Pages of publication: 846 - 851
• a: 5.012 ± 0.001 Å
• b: 7.461 ± 0.001 Å
• c: 18.66 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 697.8 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections: 0.1191
• Weighted residual factors for significantly intense reflections: 0.0875
• Goodness-of-fit parameter for all reflections: 1.156
• Goodness-of-fit parameter for significantly intense reflections: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No