Information card for entry 7217694

Structure parameters

• Formula: C30 H26 N6 O6
• Calculated formula: C30 H26 N6 O6
• SMILES: c1cc(ccn1)N1C(=O)c2ccc3C(=O)N(c4ccncc4)C(=O)c4ccc(C1=O)c2c34.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Cooperative lone pair‒π and coordination interactions in naphthalene diimide coordination networks
• Authors of publication: Fang, Xin; Yuan, Xiong; Song, Yan-Bo; Wang, Jun-Dong; Lin, Mei-Jin
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 38
• Pages of publication: 9090
• a: 5.4543 ± 0.0011 Å
• b: 13.088 ± 0.003 Å
• c: 19.406 ± 0.004 Å
• α: 90°
• β: 93.39 ± 0.03°
• γ: 90°
• Cell volume: 1382.9 ± 0.5 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2811
• Weighted residual factors for all reflections included in the refinement: 0.3107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No