Information card for entry 4503878

Structure parameters

• Formula: C54 H40 N4 O4
• Calculated formula: C54 H40 N4 O4
• SMILES: O1CCOc2ccc(OCCOc3c(C4=c5[nH]c(=C(c6nc(=C(c7[nH]c(C(=c8nc4cc8)c4ccccc4)cc7)c4ccccc14)cc6)c1ccccc1)cc5)cccc3)cc2
• Title of publication: Scanning tunneling microscopy observation of self-assembled monolayers of strapped porphyrins.
• Authors of publication: Ikeda, Taichi; Asakawa, Masumi; Miyake, Koji; Goto, Midori; Shimizu, Toshimi
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2008
• Journal volume: 24
• Journal issue: 22
• Pages of publication: 12877 - 12882
• a: 19.6062 ± 0.0015 Å
• b: 18.0781 ± 0.0013 Å
• c: 48.041 ± 0.004 Å
• α: 90°
• β: 101.31 ± 0.001°
• γ: 90°
• Cell volume: 16697 ± 2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No