Information card for entry 1555077

Structure parameters

• Formula: C30 H22 Cl2 N4 O12
• Calculated formula: C30 H22 Cl2 N4 O12
• SMILES: ClCCl.O(c1cc2c(c3c(C42c2c(c5c4cc(OC)c(c5)N(=O)=O)cc(N(=O)=O)c(c2)OC)cc(OC)c(c3)N(=O)=O)cc1N(=O)=O)C
• 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: 10.6627 ± 0.0003 Å
• b: 10.6627 ± 0.0003 Å
• c: 29.5381 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3358.3 ± 0.2 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No