Information card for entry 2107476

Structure parameters

• Formula: C30 H28 N2 O6
• Calculated formula: C30 H28 N2 O6
• SMILES: C(=C\c1ccc(cc1)OC)/C(=O)O.n1ccc(cc1)c1ccncc1.c1cc(ccc1/C=C/C(=O)O)OC
• Title of publication: Crystal engineering: co-crystals of cinnamic acid derivatives with a pyridyl derivative co-crystallizer
• Authors of publication: Lorenzo, Daniel A.; Forrest, Sebastian J. K.; Sparkes, Hazel A.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 87 - 95
• a: 6.4681 ± 0.0003 Å
• b: 28.9773 ± 0.0013 Å
• c: 6.893 ± 0.0003 Å
• α: 90°
• β: 103.812 ± 0.002°
• γ: 90°
• Cell volume: 1254.58 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes