Information card for entry 7224869

Structure parameters

• Formula: C82 H62 N10 O6
• Calculated formula: C82 H62 N10 O6
• SMILES: c1(ccc(C2=c3[nH]c(=C(c4nc(=C(c5ccc(O)cc5)c5[nH]c(C(=c6nc2cc6)c2ccc(O)cc2)cc5)cc4)c2ccc(O)cc2)cc3)cc1)O.n1c2ccccc2nc2ccccc12.n1c2ccccc2nc2ccccc12.n1c2c(cccc2)nc2c1cccc2.OC.OC
• Title of publication: Supramolecular organic frameworks (SOFs) of tetrakis(4-hydroxyphenyl)porphyrin with efficient guest inclusion
• Authors of publication: Roy, Sandipan; Titi, Hatem M.; Goldberg, Israel
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 3372
• a: 6.0722 ± 0.0005 Å
• b: 15.4167 ± 0.0016 Å
• c: 16.9383 ± 0.0018 Å
• α: 88.096 ± 0.004°
• β: 86.696 ± 0.004°
• γ: 85.177 ± 0.004°
• Cell volume: 1576.8 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No