Information card for entry 4322782

Structure parameters

• Formula: C56 H38 N4 Si
• Calculated formula: C56 H38 N4 Si
• SMILES: [Si]123(n4c5=C(c6ccccc6)c6[n]3c(=C(c3n2c(cc3)C(=c2[n]1c(C(=c4cc5)c1ccccc1)cc2)c1ccccc1)c1ccccc1)cc6)(c1ccccc1)c1ccccc1
• Title of publication: Crystallographic Studies of Organosilicon Porphyrins: Stereoelectronic Effects of Axial Groups on the Nonplanarity of the Porphyrin Ring
• Authors of publication: Jian-Yu Zheng; Katsuaki Konishi; Takuzo Aida
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2591 - 2594
• a: 10.516 ± 0.001 Å
• b: 31.624 ± 0.004 Å
• c: 12.931 ± 0.002 Å
• α: 90 ± 0°
• β: 99.41 ± 0.01°
• γ: 90 ± 0°
• Cell volume: 4242.4 ± 0.9 ų
• Cell temperature: 298 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: 0.075
• Weighted residual factors for significantly intense reflections: 0.104
• Goodness-of-fit parameter for significantly intense reflections: 1.513
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No