Information card for entry 7052798

Structure parameters

• Formula: C31 H29 N5 O2
• Calculated formula: C31 H29 N5 O2
• SMILES: O=C(Nc1nc(CN(Cc2c3ccccc3cc3ccccc23)Cc2nc(NC(=O)C)ccc2)ccc1)C
• Title of publication: Recognition of acids involved in Krebs cycle by 9-anthrylmethyl-di(6-acetylamino-2-picolyl)amine: a case of selective fluorescence enhancement for maleic acid
• Authors of publication: Goswami, Shyamaprosad; Das, Nirmal Kumar; Sen, Debabrata; Hazra, Giridhari; Goh, Jia Hao; Sing, Yeap Chin; Fun, Hoong-Kun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2011
• Journal volume: 35
• Journal issue: 12
• Pages of publication: 2811
• a: 9.368 ± 0.0002 Å
• b: 9.576 ± 0.0003 Å
• c: 16.6792 ± 0.0005 Å
• α: 79.7 ± 0.002°
• β: 77.133 ± 0.002°
• γ: 66.303 ± 0.002°
• Cell volume: 1328.99 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0867
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No