Information card for entry 7114085

Structure parameters

• Formula: C16 H20 N2 O4
• Calculated formula: C16 H20 N2 O4
• SMILES: O(C(=O)c1[nH]cc(c1c1c[nH]c(c1C)C(=O)OCC)C)CC
• Title of publication: Novel preparation of β,β'-connected porphyrin dimers
• Authors of publication: Uno, Hidemitsu; Kitawaki, Yukiko; Ono, Noboru
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2002
• Journal issue: 2
• Pages of publication: 116 - 117
• a: 11.134 ± 0.002 Å
• b: 7.626 ± 0.002 Å
• c: 19.564 ± 0.002 Å
• α: 90°
• β: 91.266 ± 0.01°
• γ: 90°
• Cell volume: 1660.7 ± 0.6 ų
• Cell temperature: 298.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.664
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No