Information card for entry 2101789

Structure parameters

• Formula: C20 H16 Br N O
• Calculated formula: C20 H16 Br N O
• SMILES: Brc1ccc(cc1)C(=O)NC(c1ccccc1)c1ccccc1
• 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: 26.354 ± 0.003 Å
• b: 5.163 ± 0.001 Å
• c: 23.654 ± 0.003 Å
• α: 90°
• β: 91.2 ± 0.1°
• γ: 90°
• Cell volume: 3217.8 ± 0.8 ų
• Number of distinct elements: 5
• 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