Information card for entry 4034025

Structure parameters

• Formula: C32 H54 Cd N12 O8
• Calculated formula: C32 H54 Cd N12 O8
• Title of publication: Two-Step Transformation of Aliphatic Polyketones into π-Conjugated Polyimines.
• Authors of publication: Manabe, Yumehiro; Uesaka, Mitsuharu; Yoneda, Tomoki; Inokuma, Yasuhide
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 16
• Pages of publication: 9957 - 9964
• a: 15.0815 ± 0.0018 Å
• b: 15.0815 ± 0.0018 Å
• c: 8.9943 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2045.8 ± 0.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No