Information card for entry 8100526

Structure parameters

• Formula: C20 H27 Br O
• Calculated formula: C20 H27 Br O
• SMILES: Br[C@]12[C@@H]3C[C@@H]4C[C@H]1C[C@H]([C@@H]3OC12C2CC3CC1CC(C3)C2)C4.Br[C@@]12[C@H]3C[C@H]4C[C@@H]1C[C@@H]([C@H]3OC12C2CC3CC1CC(C3)C2)C4
• Title of publication: Crystal structure of 2,4'-oxa-2'-bromo-2,2'-bisadamantane, C~20~H~27~BrO
• Authors of publication: Wattenbach, Carsten; Lenoir, Dieter; Chiappe, Cinzia; Müller, Ulrich
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 1
• Pages of publication: 119 - 120
• a: 24.359 ± 0.003 Å
• b: 6.9025 ± 0.0006 Å
• c: 19.369 ± 0.003 Å
• α: 90°
• β: 99.76 ± 0.01°
• γ: 90°
• Cell volume: 3209.6 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No