Information card for entry 4020584

Structure parameters

• Common name: Na dimer
• Formula: C28 H38 Na2 O16 S2
• Calculated formula: C28 H38 Na2 O16 S2
• SMILES: c12ccccc2C(=[O]2)OCC[O]3CC[O]4CC[O](C)[Na]3456OS1(=O)=[O][Na]2134OS(=[O]5)(=O)c2ccccc2C(=[O]6)OCC[O]1CC[O]3CC[O]4C
• Title of publication: Arylsulfonate-Based Nucleophile Assisting Leaving Groups
• Authors of publication: Salvatore D. Lepore; Anjan K. Bhunia; Pamela Cohn
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8117 - 8121
• a: 9.394 ± 0.0007 Å
• b: 11.7905 ± 0.0009 Å
• c: 15.6033 ± 0.0013 Å
• α: 89.384 ± 0.002°
• β: 73.265 ± 0.001°
• γ: 89.838 ± 0.001°
• Cell volume: 1654.9 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: Yes
• Has Fobs: No