Information card for entry 2100994

Structure parameters

• Formula: C13 H14 Br2
• Calculated formula: C13 H14 Br2
• SMILES: BrC1(Br)[C@]2([C@]3(C4(C5(C64CC6)CC5)C3)C2)C1.BrC1(Br)[C@@]2([C@@]3(C4(C5(C64CC6)CC5)C3)C2)C1
• Title of publication: Geometry of three-membered rings in triangulanes: an X-ray structural study and additivity scheme for carbon–carbon bond lengths in triangulanes
• Authors of publication: Lukin, K. A.; Kozhushkov, S. I.; Zefirov, N. S.; Yufit, D. S.; Struchkov, Y. T.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 704 - 708
• a: 7.433 ± 0.005 Å
• b: 9.508 ± 0.006 Å
• c: 10.12 ± 0.009 Å
• α: 111.69 ± 0.02°
• β: 93.81 ± 0.06°
• γ: 100.23 ± 0.05°
• Cell volume: 647.1 ± 0.9 ų
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No