Information card for entry 7210353

Structure parameters

• Formula: C22 H18 N4 O2
• Calculated formula: C22 H18 N4 O2
• SMILES: C(=O)(c1nc2ccccc2cc1)NCCNC(=O)c1ccc2ccccc2n1
• Title of publication: Conformational influence of quinoline moieties in the crystal packing of bis(quinolinecarboxamide)alkane derivatives
• Authors of publication: Parra, Nicole; Guarda, Luz; Belmar, Julio B.; Hidalgo, Paulina I.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 36
• Pages of publication: 7212
• a: 5.9474 ± 0.0005 Å
• b: 14.2294 ± 0.0017 Å
• c: 10.5393 ± 0.0009 Å
• α: 90°
• β: 94.768 ± 0.008°
• γ: 90°
• Cell volume: 888.83 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1012
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No