Information card for entry 4021280

Structure parameters

• Formula: C13 H18 Br2 O3
• Calculated formula: C13 H18 Br2 O3
• SMILES: BrC1=C(Br)[C@]23C(OC)(OC)[C@H]1C[C@@H]2[C@H](O)CCC3.BrC1=C(Br)[C@@]23C(OC)(OC)[C@@H]1C[C@H]2[C@@H](O)CCC3
• Title of publication: A Rapid and Stereoselective Route to thetrans-Hydrindane Ring System
• Authors of publication: Khan, Faiz Ahmed; Satapathy, Rashmirekha; Dash, Jyotirmayee; Savitha, G.
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Journal issue: 16
• Pages of publication: 5295 - 5301
• a: 8.568 ± 0.005 Å
• b: 13.871 ± 0.005 Å
• c: 12.203 ± 0.005 Å
• α: 90 ± 0.005°
• β: 91.264 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1449.9 ± 1.2 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/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No