Information card for entry 2007336

Structure parameters

• Formula: C42 H30 N4 O2
• Calculated formula: C42 H30 N4 O2
• SMILES: O=C(C1=C([C@]2(N=N(=N[C@]2(N1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C(=O)c1ccccc1)c1ccccc1.O=C(C1=C([C@@]2(N=N(=N[C@@]2(N1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C(=O)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: 10.6443 ± 0.0001 Å
• b: 10.9621 ± 0.0001 Å
• c: 16.1129 ± 0.0002 Å
• α: 86.01 ± 0.001°
• β: 81.937 ± 0.001°
• γ: 61.998 ± 0.001°
• Cell volume: 1643.59 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0775
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections: 0.1294
• Weighted residual factors for significantly intense reflections: 0.1124
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No