Information card for entry 2211844

Structure parameters

• Chemical name: N,N'-Bis[(3,4-methylenedioxyphenyl)methylene]phenylene-1,4-diamine
• Formula: C22 H20 N2 O4
• Calculated formula: C22 H20 N2 O4
• SMILES: C1Oc2c(O1)cc(cc2)CNc1ccc(cc1)NCc1ccc2c(c1)OCO2
• Title of publication: <i>N</i>,<i>N</i>'-Bis[(3,4-methylenedioxyphenyl)methylene]phenylene-1,4-diamine
• Authors of publication: Yang, Shu-Ping; Li-Jun, Han; Da-Qi, Wang; Tie-Zhu, Ding
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o244 - o246
• a: 14.2255 ± 0.0014 Å
• b: 4.9257 ± 0.0016 Å
• c: 12.7837 ± 0.0018 Å
• α: 90°
• β: 101.624 ± 0.003°
• γ: 90°
• Cell volume: 877.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0743
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes