Information card for entry 4020771

Structure parameters

• Formula: C32 H52 N8 S2
• Calculated formula: C32 H52 N8 S2
• SMILES: S=C1Nc2c(cccc2)C([S-])=Nc2c1cccc2.N[C@H]1[C@H]([NH3+])CCCC1.N[C@H]1[C@H](N)CCCC1.N[C@H]1[C@H](N)CCCC1
• Title of publication: Planar Chiral Dianthranilide and Dithiodianthranilide Molecules: Optical Resolution, Chiroptical Spectra, and Molecular Self-Assembly
• Authors of publication: Teresa Olszewska; Maria Gdaniec; Tadeusz Połoński
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 1248 - 1255
• a: 9.607 ± 0.001 Å
• b: 12.8255 ± 0.0015 Å
• c: 14.217 ± 0.0012 Å
• α: 90°
• β: 102.919 ± 0.008°
• γ: 90°
• Cell volume: 1707.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No