Information card for entry 1516393

Structure parameters

• Formula: C72 H81 N3 O6
• Calculated formula: C72 H81 N3 O6
• SMILES: c1(c2cc(cc1Cc1c(c(cc(c1)C(C)(C)C)Cc1c(c(cc(c1)C(C)(C)C)Cc1c(c(cc(c1)C(C)(C)C)C2)O)OCCNC=c1c(ccc2ccccc12)=O)O)C(C)(C)C)OCCNC=c1c(ccc2ccccc12)=O.CC#N
• Title of publication: Spectroscopy and microscopy studies of the recognition of amino acids and aggregation of proteins by Zn(II) complex of lower rim naphthylidene conjugate of calix[4]arene.
• Authors of publication: Chinta, Jugun Prakash; Acharya, Amitabha; Kumar, Amit; Rao, Chebrolu P.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2009
• Journal volume: 113
• Journal issue: 35
• Pages of publication: 12075 - 12083
• a: 11.39 ± 0.003 Å
• b: 12.106 ± 0.002 Å
• c: 24.799 ± 0.003 Å
• α: 103.162 ± 0.013°
• β: 95.459 ± 0.015°
• γ: 108.054 ± 0.019°
• Cell volume: 3114.6 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1502
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No