Information card for entry 2007338

Structure parameters

• Formula: C42 H32 N4 O2
• Calculated formula: C42 H32 N4 O2
• SMILES: O=C([C@H]1N([C@]2(N=N(=N[C@]2([C@@H]1C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.O=C([C@@H]1N([C@@]2(N=N(=N[C@@]2([C@H]1C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Three Cycloadducts Formed by the Reaction of Bis(phenylazo)stilbene with Acetylenic and Olefinic Dipolarophiles
• Authors of publication: Ramaiah, D.; Rath, Nigam P.; George, M. V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 872 - 875
• a: 11.1257 ± 0.0001 Å
• b: 15.4692 ± 0.0002 Å
• c: 18.7765 ± 0.0001 Å
• α: 90°
• β: 91.135 ± 0.001°
• γ: 90°
• Cell volume: 3230.91 ± 0.05 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0578
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections: 0.1062
• Weighted residual factors for significantly intense reflections: 0.0976
• Goodness-of-fit parameter for all reflections: 1.019
• Goodness-of-fit parameter for significantly intense reflections: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No