Information card for entry 1504734

Structure parameters

• Formula: C34 H31 N4 O4
• Calculated formula: C34 H31 N4 O4
• SMILES: O1c2cc(NCC)c(cc2C2(N(/N=C/c3ccccc3C(=O)O)C(=O)c3c2cccc3)c2c1cc(NCC)c(c2)C)C
• Title of publication: A rhodamine-based chemosensor that works in the biological system.
• Authors of publication: Suresh, Moorthy; Shrivastav, Anupama; Mishra, Sandhya; Suresh, E.; Das, Amitava
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 14
• Pages of publication: 3013 - 3016
• a: 9.132 ± 0.003 Å
• b: 11.574 ± 0.004 Å
• c: 13.473 ± 0.004 Å
• α: 92.904 ± 0.005°
• β: 92.889 ± 0.005°
• γ: 97.025 ± 0.005°
• Cell volume: 1409.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1165
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No