Information card for entry 8100956

Structure parameters

• Formula: C25 H28 Br N O2
• Calculated formula: C25 H28 Br N O2
• SMILES: [Br-].[C@@H]1([NH+]([C@@H](Cc2cc(O)cc(OCc3ccccc3)c12)C)Cc1ccccc1)C
• Title of publication: Crystal structure of (1R,3R)-8-benzyloxy-N-benzyl-6-hydroxy-1,3-dimethyl- 1,2,3,4-tetrahydroisoquinoline hydrobromide, C~9~H~6~N(CH~3~)~2~(CH~2~C~6~H~5~) (OH)(OCH~2~C~6~H~5~) · HBr
• Authors of publication: Peters, Eva-Maria; Peters, Karl; Walter, Rainer; Stäblein, Manuela; Bringmann, Gerhard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 2
• Pages of publication: 223 - 224
• a: 11.69 ± 0.002 Å
• b: 7.751 ± 0.002 Å
• c: 12.698 ± 0.005 Å
• α: 90°
• β: 105.72 ± 0.02°
• γ: 90°
• Cell volume: 1107.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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