Information card for entry 2006959

Structure parameters

• Common name: 1,4-bis(2,2'-dipyrromethyl)benzene
• Chemical name: 1,4-bis(2,2'-dipyrromethyl)benzene
• Formula: C24 H22 N4
• Calculated formula: C24 H22 N4
• SMILES: C(c1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1)(c1ccc[nH]1)c1ccc[nH]1
• Title of publication: N—Hπ(pyrrole) Intermolecular Interactions in 1,4-Bis(di-2-pyrrolylmethyl)benzene
• Authors of publication: Bennis, Vanessa; Gallagher, John F.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 130 - 132
• a: 6.4806 ± 0.0012 Å
• b: 13.8928 ± 0.0015 Å
• c: 10.9886 ± 0.0009 Å
• α: 90°
• β: 92.738 ± 0.01°
• γ: 90°
• Cell volume: 988.2 ± 0.2 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.218
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections: 0.829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No