Information card for entry 7212871

Structure parameters

• Formula: C20 H26 N2 O4
• Calculated formula: C20 H26 N2 O4
• SMILES: c1(ccncc1)CCCc1ccncc1.O=C(CCCCCC(=O)O)O
• Title of publication: Remarkable reversal of melting point alternation by co-crystallization
• Authors of publication: Braga, Dario; Dichiarante, Elena; Palladino, Giuseppe; Grepioni, Fabrizia; Chierotti, Michele R.; Gobetto, Roberto; Pellegrino, Luca
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3534
• a: 7.1246 ± 0.0004 Å
• b: 11.1403 ± 0.0004 Å
• c: 12.9265 ± 0.0007 Å
• α: 81.099 ± 0.004°
• β: 84.868 ± 0.005°
• γ: 71.717 ± 0.004°
• Cell volume: 961.54 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1632
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No