Information card for entry 1515794

Structure parameters

• Formula: C68 H88 Cl2 Ge2 O2
• Calculated formula: C68 H88 Cl2 Ge2 O2
• Title of publication: Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
• Authors of publication: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
• Journal of publication: Chemical Science
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 4
• Pages of publication: 461
• a: 14.3831 ± 0.0017 Å
• b: 10.975 ± 0.0013 Å
• c: 19.628 ± 0.002 Å
• α: 90°
• β: 95.579 ± 0.002°
• γ: 90°
• Cell volume: 3083.7 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No