Information card for entry 7208086

Structure parameters

• Formula: C30 H27 N3 O6
• Calculated formula: C30 H27 N3 O6
• SMILES: c1(ccc(c2cc(c3ccc(cc3)O)cc(c3ccc(cc3)O)c2)cc1)O.COc1nc(nc(n1)OC)OC
• Title of publication: Layer-by-layer assembly of supramolecular hexagonal blocks driven by CH‒π and π‒π interactions
• Authors of publication: Naseer, Muhammad Moazzam; Hameed, Shahid
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 13
• Pages of publication: 4247
• a: 17.693 ± 0.003 Å
• b: 17.693 ± 0.003 Å
• c: 13.907 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3770.2 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No