Information card for entry 7024469

Structure parameters

• Formula: C25 H22 N6 O3
• Calculated formula: C25 H22 N6 O3
• SMILES: N1(N=C(N(N(C1OC)c1c(cccc1)O)c1ncccc1)c1c(cccc1)O)c1ncccc1
• Title of publication: Manganese(III)-mediated cyclodimerization of a hydrazinyl derivative generating an unprecedented 1,2,3,5,6-substituted leuco-verdazyl ring.
• Authors of publication: Tang, Jinkui; Nayak, Sanjit; Costa, José Sánchez; Robertazzi, Arturo; Pievo, Roberta; Mutikainen, Ilpo; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 1361 - 1365
• a: 8.248 ± 0.002 Å
• b: 15.584 ± 0.003 Å
• c: 17.206 ± 0.003 Å
• α: 90°
• β: 95.15 ± 0.03°
• γ: 90°
• Cell volume: 2202.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No