Information card for entry 2104506

Structure parameters

• Chemical name: Dimethyl(2-(methylene)-2-(phenylsulfanyl)ethyl)ammonium oxalate
• Formula: C13 H17 N O4 S
• Calculated formula: C13 H17 N O4 S
• SMILES: S(C(=C)C[NH+](C)C)c1ccccc1.O=C(O)C(=O)[O-]
• Title of publication: Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
• Authors of publication: Marsh, Richard E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 782 - 783
• a: 60.457 ± 0.018 Å
• b: 16.411 ± 0.006 Å
• c: 5.582 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5538 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No