Information card for entry 2233211

Structure parameters

• Common name: Corrphycene
• Chemical name: (12,17-Diethoxycarbonyl-11,18-dimethyl-2,3:6,7- dibutanocorrphycenato)copper(II)‒12,17-diethoxycarbonyl-11,18-dimethyl- 2:3,6:7-dibutanocorrphycene (3/97)
• Formula: C36 H37.93 Cu0.03 N4 O4
• Calculated formula: C36 H37.9316 Cu0.0342 N4 O4
• Title of publication: (12,17-Diethoxycarbonyl-11,18-dimethyl-2,3:6,7-dibutanocorrphycenato)copper(II)‒12,17-diethoxycarbonyl-11,18-dimethyl-2:3,6:7-dibutanocorrphycene (3/97)
• Authors of publication: Ohgo, Yoshiki; Yokoyama, Yuki; Hashizume, Daisuke; Neya, Saburo; Nakamura, Mikio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: m23 - m24
• a: 8.8759 ± 0.0005 Å
• b: 13.2493 ± 0.0008 Å
• c: 13.2891 ± 0.0007 Å
• α: 108.496 ± 0.002°
• β: 90.708 ± 0.002°
• γ: 98.142 ± 0.002°
• Cell volume: 1464.39 ± 0.14 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1389
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1986
• Weighted residual factors for all reflections included in the refinement: 0.2459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes