Information card for entry 4021279

Structure parameters

• Formula: C13 H12 Br2 O3
• Calculated formula: C13 H18 Br2 O3
• SMILES: C1(=C([C@H]2C([C@@]31[C@H](C2)[C@H](CCC3)O)(OC)OC)Br)Br.C1(=C([C@@H]2C([C@]31[C@@H](C2)[C@@H](CCC3)O)(OC)OC)Br)Br
• 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: 9.788 ± 0.005 Å
• b: 11.371 ± 0.005 Å
• c: 24.734 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.939 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2738.1 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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