Information card for entry 7005528

Structure parameters

• Formula: C30 H22
• Calculated formula: C30 H22
• SMILES: c1(c2ccccc2)cc(c(cc1c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Stereoselective synthesis of olefins by a reductive coupling reaction.
• Authors of publication: Hua, Guoxiong; Li, Yang; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 15
• Pages of publication: 1477 - 1480
• a: 5.872 ± 0.003 Å
• b: 7.437 ± 0.003 Å
• c: 11.851 ± 0.007 Å
• α: 83.77 ± 0.03°
• β: 89.75 ± 0.03°
• γ: 81.48 ± 0.02°
• Cell volume: 508.8 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.2176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No