Information card for entry 2101796

Structure parameters

• Formula: C13 H10 Br2 N2
• Calculated formula: C13 H10 Br2 N2
• SMILES: N#CC1=C[C@@H]([C@]23[C@]1(CCC2)[C@@H](Br)C=C3C#N)Br.N#CC1=C[C@H]([C@@]23[C@@]1(CCC2)[C@H](Br)C=C3C#N)Br
• 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: 12.972 ± 0.003 Å
• b: 10.537 ± 0.002 Å
• c: 9.567 ± 0.002 Å
• α: 90°
• β: 104.09 ± 0.03°
• γ: 90°
• Cell volume: 1268.3 ± 0.5 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