Information card for entry 7241338

Structure parameters

• Formula: C44 H53 N4 O2
• Calculated formula: C44 H53 N4 O2
• SMILES: [nH]1c(C(c2ccccc2)(c2[nH]c(/C=N/c3c(cccc3C(C)C)C(C)C)cc2)C)ccc1/C=N/c1c(cccc1C(C)C)C(C)C.O=C(O)C
• Title of publication: New zinc complexes derived from “self-adaptable” acyclic diiminodipyrromethanes as potent catalysts for the reduction of curing temperature of bisphenol-A/F benzoxazines
• Authors of publication: Loke, Shiva K.; Pagadala, Eswar; Devaraju, S.; Srinivasadesikan, V.; Kottalanka, Ravi K.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 60
• Pages of publication: 36275 - 36286
• a: 12.0275 ± 0.0007 Å
• b: 12.8465 ± 0.0006 Å
• c: 14.5982 ± 0.0008 Å
• α: 104.022 ± 0.004°
• β: 93.333 ± 0.005°
• γ: 108.901 ± 0.004°
• Cell volume: 2047.3 ± 0.2 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: 0.1384
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.2128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No