Information card for entry 1504600

Structure parameters

• Formula: C34 H36 N4 O2
• Calculated formula: C34 H36 N4 O2
• SMILES: c12cc(ccc1C1(c3ccc(cc3O2)N(CC)CC)c2ccccc2C(=O)N1c1c(cccc1)N)N(CC)CC
• Title of publication: Fluorogenic and chromogenic rhodamine spirolactam based probe for nitric oxide by spiro ring opening reaction.
• Authors of publication: Zheng, Hong; Shang, Gui-Qin; Yang, Shi-Yao; Gao, Xia; Xu, Jin-Gou
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 2357 - 2360
• a: 9.2961 ± 0.0004 Å
• b: 13.8333 ± 0.0006 Å
• c: 22.063 ± 0.001 Å
• α: 90°
• β: 100.538 ± 0.001°
• γ: 90°
• Cell volume: 2789.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No