Information card for entry 1100276

Structure parameters

• Formula: C17 H23 Br O2
• Calculated formula: C17 H23 Br O2
• SMILES: Brc1ccc(c2c1OC([C@@H]1CC[C@H](C[C@@H]21)C)(C)C)OC.Brc1ccc(c2c1OC([C@H]1CC[C@@H](C[C@H]21)C)(C)C)OC
• Title of publication: (6aRS,9RS,10aRS)-4-Bromo-1-methoxy-6,6,9-trimethyl-6a,7,8,9,10,10a-hexahydro-6H-dibenzo[b,d]pyran
• Authors of publication: Harms, K.; Jones, P. G.; Sheldrick, G. M.
• Journal of publication: Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry
• Year of publication: 1980
• Journal volume: 36
• Journal issue: 12
• Pages of publication: 3157 - 3159
• a: 7.378 ± 0.004 Å
• b: 9.74 ± 0.005 Å
• c: 11.406 ± 0.006 Å
• α: 80.83 ± 0.04°
• β: 81.26 ± 0.04°
• γ: 81.88 ± 0.04°
• Cell volume: 794.01 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No