Information card for entry 4020389

Structure parameters

• Formula: C11 H14 N3 O5 P
• Calculated formula: C11 H14 N3 O5 P
• SMILES: O1[P@@](=O)([C@@H]([C@@H]([C@H]([C@H]1C)N=N#N)O)O)Oc1ccccc1.O1[P@](=O)([C@H]([C@H]([C@@H]([C@@H]1C)N=N#N)O)O)Oc1ccccc1
• Title of publication: P-Heterocyclic Building Blocks: Application to the Stereoselective Synthesis of P-Sugars.
• Authors of publication: Diana S. Stoianova; Alan Whitehead; Paul R. Hanson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5880 - 5889
• a: 8.1636 ± 0.0013 Å
• b: 8.7184 ± 0.0014 Å
• c: 10.1021 ± 0.0016 Å
• α: 79.409 ± 0.004°
• β: 74.124 ± 0.004°
• γ: 81.613 ± 0.004°
• Cell volume: 676.31 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No