Information card for entry 1100335

Structure parameters

• Formula: C12 H21 Br O2
• Calculated formula: C12 H21 Br O2
• SMILES: BrC1C2(OC(C(O2)(C)C)(C)C)CCCC1
• Title of publication: The Conformational Behaviour of 10-Substituted Spiro[4.5]decanes
• Authors of publication: Wolff, J. Jens; Frenking, Gernot; Harms, Klaus
• Journal of publication: Chemische Berichte
• Year of publication: 1991
• Journal volume: 124
• Journal issue: 3
• Pages of publication: 551 - 561
• a: 6.351 ± 0.002 Å
• b: 11.877 ± 0.006 Å
• c: 16.86 ± 0.006 Å
• α: 90°
• β: 90.92 ± 0.03°
• γ: 90°
• Cell volume: 1271.6 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No