Information card for entry 4509133

Structure parameters

• Formula: C57 H56 N4 O6
• Calculated formula: C57 H56 N4 O6
• SMILES: c1(c(ccc2ccccc12)C(=O)[O-])c1c(ccc2ccccc12)C(=O)[O-].c1cccc2C3c4ccccc4C(c12)[C@H]([C@@H]3[NH3+])N.c1cccc2C3c4ccccc4C(c12)[C@H]([C@@H]3[NH3+])N.O.OCCC
• Title of publication: Formation and Crystal Structure of Two-Component Host System Having Helical Chirality and Comprising 9,10-Dihydro-9,10-ethanoanthracene-11,12-diamine and 1,1′-Binaphthyl-2,2′-dicarboxylic Acid
• Authors of publication: Imai, Yoshitane; Murata, Katuzo; Kamon, Kensaku; Kinuta, Takafumi; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 602
• a: 12.8177 ± 0.0008 Å
• b: 14.4717 ± 0.0009 Å
• c: 25.1811 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4670.9 ± 0.5 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No