Information card for entry 1506999

Structure parameters

• Formula: C34 H32 N4 O2
• Calculated formula: C34 H32 N4 O2
• SMILES: O=C1N(C2N(C(=O)N(CC2(c2ccccc2)c2ccccc2)C)CN1C)C=C(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of a highly reactive heterocyclic reactant and its unusual photochemistry; mechanistic and exploratory organic photochemistry.
• Authors of publication: Zimmerman, Howard E.; Pushechnikov, Alexei
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 21
• Pages of publication: 3779 - 3780
• a: 22.8855 ± 0.0009 Å
• b: 16.1409 ± 0.0006 Å
• c: 17.7713 ± 0.0007 Å
• α: 90°
• β: 124.173 ± 0.001°
• γ: 90°
• Cell volume: 5431.2 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No