Information card for entry 2007078

Structure parameters

• Formula: C42 H34 O2
• Calculated formula: C41.9997 H33.4286 O1.99971
• Title of publication: 1,4-Bis(triphenylmethoxy)-2-butyne, Rhombohedral with <i>Z</i>' = 7/6
• Authors of publication: Benites, Maria del Rosario; Hammer, Robert P.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 412 - 415
• a: 36.12 ± 0.002 Å
• b: 36.12 ± 0.002 Å
• c: 14.787 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16707.3 ± 1.7 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.059
• Goodness-of-fit parameter for significantly intense reflections: 1.206
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No