Information card for entry 4126236

Structure parameters

• Formula: C134 H150 Cl9 N8 Ni2 O
• Calculated formula: C134 H150 Cl9 N8 Ni2 O
• Title of publication: Porphyrin Arch-Tapes: Synthesis, Contorted Structures, and Full Conjugation.
• Authors of publication: Fukui, Norihito; Kim, Taeyeon; Kim, Dongho; Osuka, Atsuhiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 26
• Pages of publication: 9075 - 9088
• a: 15.6525 ± 0.0017 Å
• b: 20.125 ± 0.003 Å
• c: 21.372 ± 0.002 Å
• α: 89.65 ± 0.017°
• β: 69.675 ± 0.016°
• γ: 89.297 ± 0.018°
• Cell volume: 6312.7 ± 1.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No