Information card for entry 7210354

Structure parameters

• Formula: C24 H22 N4 O2
• Calculated formula: C24 H22 N4 O2
• SMILES: C(=O)(c1ccc2ccccc2n1)NCCCCNC(=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: 7.63 ± 0.0015 Å
• b: 12.848 ± 0.003 Å
• c: 10.165 ± 0.002 Å
• α: 90°
• β: 101.01 ± 0.03°
• γ: 90°
• Cell volume: 978.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.7385 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No