Information card for entry 7005527

Structure parameters

• Formula: C38 H28
• Calculated formula: C38 H28
• SMILES: C(=C(c1ccccc1)\c1ccc(c2ccccc2)cc1)(c1ccc(cc1)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: 9.7367 ± 0.0018 Å
• b: 10.2143 ± 0.0017 Å
• c: 14.483 ± 0.002 Å
• α: 91.593 ± 0.01°
• β: 91.994 ± 0.011°
• γ: 114.825 ± 0.008°
• Cell volume: 1305.1 ± 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: 0.1042
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No