Information card for entry 7052799

Structure parameters

• Formula: C41 H41 N5 O13
• Calculated formula: C41 H41 N5 O13
• 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: 13.9724 ± 0.0004 Å
• b: 32.9044 ± 0.0009 Å
• c: 8.6563 ± 0.0002 Å
• α: 90°
• β: 101.086 ± 0.002°
• γ: 90°
• Cell volume: 3905.5 ± 0.18 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1429
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2207
• Weighted residual factors for all reflections included in the refinement: 0.257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No