Information card for entry 2212710

Structure parameters

• Chemical name: Succinimidyl 7-methoxy-2H-chromene-3-carboxylate
• Formula: C15 H11 N O7
• Calculated formula: C15 H11 N O7
• SMILES: o1c(=O)c(cc2ccc(OC)cc12)C(=O)ON1C(=O)CCC1=O
• Title of publication: Succinimidyl 7-methoxy-2<i>H</i>-chromene-3-carboxylate
• Authors of publication: Bardajee, Ghasem Rezanejade; Winnik, Mitchell A.; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1513 - o1514
• a: 8.4164 ± 0.0006 Å
• b: 19.4304 ± 0.0013 Å
• c: 8.5521 ± 0.0006 Å
• α: 90°
• β: 94.475 ± 0.004°
• γ: 90°
• Cell volume: 1394.3 ± 0.17 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes