Information card for entry 8100323

Structure parameters

• Formula: C28 H19 Br O3
• Calculated formula: C28 H19 Br O3
• SMILES: Brc1c(C(=O)Oc2cc3ccccc3cc2OCc2ccccc2)ccc2ccccc12
• Title of publication: Crystal structure of 3'-benzyloxy-2'-naphthyl-1-bromo-2-naphthoate, C~28~H~19~BrO~3~
• Authors of publication: Peters, Karl; Peters, Eva-Maria; Wuzik, Andreas; Pfeifer, Robert - Michael; Bringmann, Gerhard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 2
• Pages of publication: 209 - 210
• a: 13.769 ± 0.001 Å
• b: 19.058 ± 0.002 Å
• c: 8.716 ± 0.001 Å
• α: 90°
• β: 107.964 ± 0.006°
• γ: 90°
• Cell volume: 2175.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No