Information card for entry 4034028

Structure parameters

• Formula: C7 H12 Cd N4 O7
• Calculated formula: C7 H12 Cd N4 O7
• 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: 10.1187 ± 0.0006 Å
• b: 12.067 ± 0.0007 Å
• c: 10.3366 ± 0.0006 Å
• α: 90°
• β: 94.727 ± 0.005°
• γ: 90°
• Cell volume: 1257.83 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No