Information card for entry 1515741

Structure parameters

• Formula: C28 H24 N2 O4
• Calculated formula: C28 H24 N2 O4
• SMILES: c1cc(ccn1)c1cccc2cccc(c12)c1ccncc1.C(=O)(C(=C\C=C(/C(=O)O)C)/C)O
• Title of publication: Applications of hydrogen-bond-acceptor templates to direct 'in-phase' reactivity of a diene diacid in the solid state.
• Authors of publication: Atkinson, Manza B. J.; Sokolov, Anatoliy N.; Bučar, Dejan-Krešimir; Mariappan, S. V. Santhana; Mwangi, Martin T.; Tiedman, Michael C.; MacGillivray, Leonard R.
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2011
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1384 - 1386
• a: 14.5252 ± 0.0016 Å
• b: 6.963 ± 0.0008 Å
• c: 23.665 ± 0.003 Å
• α: 90°
• β: 102.029 ± 0.005°
• γ: 90°
• Cell volume: 2340.9 ± 0.5 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No