Information card for entry 7150012

Structure parameters

• Formula: C149 H116 N4 Zn
• Calculated formula: C100 H60 N4 Zn
• SMILES: c12=C(c3c4c(c5C(=c6c7c(c8C(=c9c%10c(c%11=C(c(c%12c1C1c%13ccccc%13C%12c%12c1cccc%12)[n]2[Zn](n9%11)([n]68)n35)c1ccccc1)C1c2ccccc2C%10c2ccccc12)c1ccccc1)C1c2ccccc2C7c2ccccc12)c1ccccc1)C1c2ccccc2C4c2ccccc12)c1ccccc1
• Title of publication: Extremely large cavity assembled by self-interlocking of distorted biconcave porphyrins.
• Authors of publication: Uno, Hidemitsu; Watanabe, Hikaru; Yamashita, Yuko; Ono, Noboru
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 448 - 453
• a: 10.263 ± 0.001 Å
• b: 16.066 ± 0.002 Å
• c: 16.779 ± 0.002 Å
• α: 82.544 ± 0.005°
• β: 85.022 ± 0.006°
• γ: 80.666 ± 0.006°
• Cell volume: 2700.8 ± 0.5 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173 ± 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: 0.0554
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No