Information card for entry 7235686

Structure parameters

• Formula: C39 H39 N5 O4
• Calculated formula: C39 H39 N5 O4
• Title of publication: A rhodamine‒quinoline based chemodosimeter capable of recognising endogenous OCl− in human blood cells
• Authors of publication: Goswami, Shyamaprosad; Das, Sangita; Aich, Krishnendu; Nandi, Prasanta Kumar; Ghoshal, Kakali; Quah, Ching Kheng; Bhattacharyya, Maitree; Fun, Hoong-Kun; Abdel-Aziz, Hatem A.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 47
• Pages of publication: 24881
• a: 12.0129 ± 0.0013 Å
• b: 13.4609 ± 0.0014 Å
• c: 22.928 ± 0.002 Å
• α: 94.684 ± 0.003°
• β: 91.243 ± 0.003°
• γ: 102.218 ± 0.002°
• Cell volume: 3608.6 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1601
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.2346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No