Information card for entry 2100076

Structure parameters

• Formula: C13 H14 N2 O5 S
• Calculated formula: C13 H14 N2 O5 S
• SMILES: S(=O)(=O)([O-])c1ccc(cc1)O.C[n+]1ccc(cc1)C(=O)N
• Title of publication: Space group <i>P</i>1: an update
• Authors of publication: Richard E. Marsh
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: 359 - 359
• a: 8.016 Å
• b: 14.258 Å
• c: 12.6 Å
• α: 90°
• β: 104.35°
• γ: 90°
• Cell volume: 1395.15 ų
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No