Information card for entry 2202636

Structure parameters

• Chemical name: 6a,14a-cis-6,6a,7,14a-Tetrahydrochromeno[4',3':3,4]pyrano[3,2-c]coumarin
• Formula: C19 H14 O4
• Calculated formula: C19 H14 O4
• SMILES: o1c(=O)c2c(OC[C@H]3[C@@H]2c2c(OC3)cccc2)c2c1cccc2.o1c(=O)c2c(OC[C@@H]3[C@H]2c2c(OC3)cccc2)c2c1cccc2
• Title of publication: 6a,14a-<i>cis</i>-6,6a,7,14a-Tetrahydrochromeno[4',3':3,4]pyrano[3,2-<i>c</i>]coumarin
• Authors of publication: R. Krishna; P. G. Aravindan; M. Yogavel; D. Velmurugan; S. Shanmuga Sundara Raj; H.-K. Fun; M. Shanmuga Sundaram; R. Raghunathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1395 - o1397
• a: 12.2252 ± 0.0001 Å
• b: 16.3351 ± 0.0003 Å
• c: 15.3425 ± 0.0003 Å
• α: 90°
• β: 109.207 ± 0.001°
• γ: 90°
• Cell volume: 2893.35 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1223
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes