Information card for entry 2100993

Structure parameters

• Formula: C11 H12 Cl2
• Calculated formula: C11 H12 Cl2
• SMILES: ClC1(Cl)C2(C3(C4(C53CC5)CC4)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: 6.729 ± 0.002 Å
• b: 9.176 ± 0.002 Å
• c: 9.49 ± 0.003 Å
• α: 94.49 ± 0.02°
• β: 107.42 ± 0.02°
• γ: 103.12 ± 0.02°
• Cell volume: 537.7 ± 0.3 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