Information card for entry 7204461

Structure parameters

• Chemical name: 1-(diisopropylamino)-3,4-epoxy-1-oxophospholane
• Formula: C10 H20 N O2 P
• Calculated formula: C10 H20 N O2 P
• SMILES: P1(=O)(N(C(C)C)C(C)C)C[C@H]2O[C@H]2C1
• Title of publication: Synthesis and biological evaluation of phospholane and dihydrophosphole analogues of the glutamate receptor agonist AP4Electronic supplementry information (ESI) available: mode of epoxide ring-opening and experimental data for 2 and 3. See http://www.rsc.org/suppdata/p1/b2/b204891d/
• Authors of publication: Conway, Stuart J.; Miller, Jacqueline C.; Bond, Andrew D.; Clark, Barry P.; Jane, David E.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 14
• Pages of publication: 1625
• a: 6.3138 ± 0.0003 Å
• b: 7.7287 ± 0.0003 Å
• c: 24.059 ± 0.0012 Å
• α: 90°
• β: 90.762 ± 0.002°
• γ: 90°
• Cell volume: 1173.91 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No