Information card for entry 7212865

Structure parameters

• Formula: C22 H28 N2 O4
• Calculated formula: C22 H30 N2 O4
• SMILES: C(C(=O)O)CCCCCCCC(=O)O.n1ccc(CCc2ccncc2)cc1
• 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: 6.9363 ± 0.0004 Å
• b: 6.9574 ± 0.0004 Å
• c: 12.0029 ± 0.0008 Å
• α: 77.23 ± 0.005°
• β: 73.739 ± 0.006°
• γ: 71.192 ± 0.006°
• Cell volume: 520.9 ± 0.06 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: 0.1432
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No