Information card for entry 2007337

Structure parameters

• Formula: C29 H23 N5
• Calculated formula: C29 H23 N5
• SMILES: N1=N(=N[C@]2(N(C[C@@H]([C@@]12c1ccccc1)C#N)c1ccccc1)c1ccccc1)c1ccccc1.N1=N(=N[C@@]2(N(C[C@H]([C@]12c1ccccc1)C#N)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: 9.2081 ± 0.0001 Å
• b: 10.962 ± 0.0001 Å
• c: 13.2238 ± 0.0001 Å
• α: 67.053 ± 0.001°
• β: 84.532 ± 0.001°
• γ: 68.754 ± 0.001°
• Cell volume: 1143.98 ± 0.02 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections: 0.1301
• Weighted residual factors for significantly intense reflections: 0.1188
• Goodness-of-fit parameter for all reflections: 1.015
• Goodness-of-fit parameter for significantly intense reflections: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No