Information card for entry 7104910

Structure parameters

• Formula: C28 H28 N4 O3
• Calculated formula: C28 H28 N4 O3
• SMILES: C1(=O)N(/N=C/C=O)C2(c3ccccc13)c1cc(c(NCC)cc1Oc1c2cc(c(NCC)c1)C)C
• Title of publication: A fluorescent chemodosimeter specific for cysteine: effective discrimination of cysteine from homocysteine.
• Authors of publication: Li, Honglin; Fan, Jiangli; Wang, Jingyun; Tian, Maozhong; Du, Jianjun; Sun, Shiguo; Sun, Pingping; Peng, Xiaojun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 39
• Pages of publication: 5904 - 5906
• a: 19.352 ± 0.004 Å
• b: 15.755 ± 0.003 Å
• c: 8.3951 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2559.5 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No