Information card for entry 4115596

Structure parameters

• Formula: C26 H24 N2 O6
• Calculated formula: C26 H24 N2 O6
• SMILES: O=C(O)c1ccccc1C(=O)O.O=C(N)/C=C/c1ccccc1.O=C(N)/C=C/c1ccccc1
• Title of publication: In Situ X-ray Observation of Pedal-like Conformational Change and Dimerization of trans-Cinnamamide in Cocrystals with Phthalic Acid
• Authors of publication: Shigeru Ohba; Hiroyuki Hosomi; Yoshikatsu Ito
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 6349 - 6352
• a: 9.562 ± 0.003 Å
• b: 17.401 ± 0.004 Å
• c: 7.523 ± 0.003 Å
• α: 90.82 ± 0.02°
• β: 105.72 ± 0.02°
• γ: 75.51 ± 0.02°
• Cell volume: 1164.7 ± 0.7 ų
• Cell temperature: 298 ± 1 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 significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No