Information card for entry 4512953

Structure parameters

• Formula: C23 H18 N4
• Calculated formula: C23 H18 N4
• SMILES: N(c1ncccc1)(c1ccc(/C=C/c2ccncc2)cc1)c1ncccc1
• Title of publication: Luminescent Two-Dimensional Coordination Polymer for Selective and Recyclable Sensing of Nitroaromatic Compounds with High Sensitivity in Water
• Authors of publication: Chen, Min-Min; Zhou, Xuan; Li, Hong-Xi; Yang, Xiao-Xi; Lang, Jian-Ping
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 2753
• a: 12.9468 ± 0.0007 Å
• b: 8.8566 ± 0.0005 Å
• c: 15.9979 ± 0.0007 Å
• α: 90°
• β: 91.294 ± 0.005°
• γ: 90°
• Cell volume: 1833.93 ± 0.16 ų
• Cell temperature: 223 ± 0.1 K
• Ambient diffraction temperature: 223 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No