Information card for entry 7026446

Structure parameters

• Formula: C64 H78 N4 O8 Si4
• Calculated formula: C64 H78 N4 O8 Si4
• SMILES: c12=C(c3nc(=C(c4ccc([nH]4)C(=c4nc(C(=c(cc1)[nH]2)c1ccc([Si](OCC)(OCC)C)cc1)cc4)c1ccc(cc1)[Si](OCC)(OCC)C)c1ccc(cc1)[Si](OCC)(OCC)C)cc3)c1ccc(cc1)[Si](OCC)(OCC)C
• Title of publication: Synthesis and properties of 5,10,15,20-tetrakis[4-(alkoxysilyl)phenyl]porphyrins: an application of selective deprotection of benzaldehyde diethyl acetals in the presence of alkoxysilyl groups.
• Authors of publication: Ishida, Shintaro; Ito, Masayasu; Horiuchi, Hiroaki; Hiratsuka, Hiroshi; Shiraishi, Soshi; Kyushin, Soichiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 39
• Pages of publication: 9421 - 9426
• a: 12.1499 ± 0.0009 Å
• b: 15.71 ± 0.001 Å
• c: 17.0267 ± 0.0013 Å
• α: 90°
• β: 109.896 ± 0.0005°
• γ: 90°
• Cell volume: 3056 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No