Information card for entry 4029338

Structure parameters

• Formula: C28 H26 N2 O4
• Calculated formula: C28 H26 N2 O4
• SMILES: O=C1N(C(=O)[C@@H]2[C@H]3c4ccc(OC)cc4[C@H](c4ccc(OC)cc34)[C@H]12)c1ccc(N(C)C)cc1.O=C1N(C(=O)[C@H]2[C@@H]3c4ccc(OC)cc4[C@@H](c4ccc(OC)cc34)[C@@H]12)c1ccc(N(C)C)cc1
• Title of publication: Photoactivatable Anthracenes.
• Authors of publication: Thapaliya, Ek Raj; Captain, Burjor; Raymo, Françisco M
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 9
• Pages of publication: 3973 - 3981
• a: 9.8381 ± 0.0008 Å
• b: 10.4824 ± 0.0009 Å
• c: 12.5322 ± 0.0011 Å
• α: 74.656 ± 0.001°
• β: 74.429 ± 0.001°
• γ: 71.299 ± 0.001°
• Cell volume: 1156.45 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0911
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No