Information card for entry 1555078

Structure parameters

• Formula: C29 H20 I4 O4
• Calculated formula: C28.6667 H18.6667 I4 O4
• SMILES: Ic1c(OC)cc2C3(c4c(c5c3cc(OC)c(c5)I)cc(I)c(c4)OC)c3cc(OC)c(I)cc3c2c1
• Title of publication: Exclusive Hydrophobic Self-Assembly of Adaptive Solid-State Networks of Octasubstituted 9,9'-Spirobifluorenes.
• Authors of publication: Pop, Lidia; Dumitru, Florina; Hădade, Niculina D; Legrand, Yves-Marie; van der Lee, Arie; Barboiu, Mihail; Grosu, Ion
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 3494 - 3497
• a: 12.1779 ± 0.0011 Å
• b: 21.8512 ± 0.0015 Å
• c: 21.9539 ± 0.0015 Å
• α: 60.52 ± 0.007°
• β: 87.603 ± 0.006°
• γ: 86.921 ± 0.007°
• Cell volume: 5077.5 ± 0.8 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1383
• Residual factor for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections: 0.1501
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No