Information card for entry 2202000

Structure parameters

• Formula: C17 H13 N O5
• Calculated formula: C17 H13 N O5
• SMILES: n1c(oc2c1cccc2)c1c(=O)oc2cc(O)ccc2c1.CO
• Title of publication: 3-(Benzoxazol-2-yl)-7-hydroxychromen-2-one methanol solvate
• Authors of publication: Franca, Eduardo de Faria; Machado, Antonio Eduardo da Hora; Oliveira-Campos, Ana Maria Ferreira; Santos Jr, Sauli; Ellena, Javier; Guilardi, Silvana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o820 - o822
• a: 6.5606 ± 0.0003 Å
• b: 7.3493 ± 0.0003 Å
• c: 15.3575 ± 0.0007 Å
• α: 79.724 ± 0.002°
• β: 78.98 ± 0.002°
• γ: 74.194 ± 0.005°
• Cell volume: 693.06 ± 0.06 ų
• Cell temperature: 120 ± 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 significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes