Information card for entry 7216607

Structure parameters

• Formula: C32 H26 N2 O6
• Calculated formula: C32 H26 N2 O6
• SMILES: c1cc(ccn1)c1ccncc1.c1c(C(=O)O)c(ccc1)COc1ccc(OCc2c(C(=O)O)cccc2)cc1
• Title of publication: Solid-state self-assembly of 1,4-bis(2-carboxybenzyloxy)benzene in the presence and absence of aromatic amines
• Authors of publication: Liu, Rong; Valiyaveettil, Suresh; Mok, Kum-Fun; Vittal, Jagadese J.; Hoong, Angelia Kar Min
• Journal of publication: CrystEngComm
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 95
• Pages of publication: 574
• a: 6.1009 ± 0.0007 Å
• b: 8.0739 ± 0.0009 Å
• c: 13.4904 ± 0.0015 Å
• α: 83.523 ± 0.002°
• β: 80.384 ± 0.001°
• γ: 87.233 ± 0.002°
• Cell volume: 650.7 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0887
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No