Information card for entry 8106508

Structure parameters

• Formula: C24 H21 N3 O5
• Calculated formula: C24 H21 N3 O5
• SMILES: O=C(OC)c1cc2ccccc2cc1OCc1nnn(c1)Cc1c(cccc1)C(=O)OC
• Title of publication: Crystal structure of methyl 3-((1-(2-(methoxycarbonyl)benzyl)-1H-1,2,3-triazol-4-yl)methoxy)-2-naphthoate, C24H21N3O5
• Authors of publication: Tan, Xiaoli; Hong, Wei; Wang, Meiyi; Wang, Hao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 2
• Pages of publication: 273 - 274
• a: 5.8731 ± 0.0006 Å
• b: 12.4675 ± 0.001 Å
• c: 28.912 ± 0.003 Å
• α: 90°
• β: 90.271 ± 0.007°
• γ: 90°
• Cell volume: 2117 ± 0.4 ų
• Cell temperature: 293.23 ± 0.1 K
• Ambient diffraction temperature: 293.23 ± 0.1 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: 0.197
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No