Information card for entry 2101805

Structure parameters

• Formula: C40 H20 N4 S24
• Calculated formula: C40 H20 N4 S24
• SMILES: N#CC(=c1ccc(=C(C#N)C#N)cc1)C#N.CSC1=C(SC)SC(=C2SC3=C(S2)SC2=C(S3)SC(=C3SC=CS3)S2)S1.CSC1=C(SC)SC(=C2SC3=C(S2)SC2=C(S3)SC(=C3SC=CS3)S2)S1
• Title of publication: The perils of <i>Cc</i> revisited
• Authors of publication: Marsh, R. E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 317 - 322
• a: 12.9 ± 0.003 Å
• b: 7.74 ± 0.002 Å
• c: 49.85 ± 0.01 Å
• α: 90°
• β: 90.65 ± 0.03°
• γ: 90°
• Cell volume: 4977 ± 2 ų
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No