Information card for entry 2011670

Structure parameters

• Chemical name: 13,13a-Dihydro-9-methyl-13-methoxy-1-benzopyrano[4,3-i]- dinaphtho[2,1-c;1',2'-f]-2,8-dioxabicyclo[3,3,1]nonane
• Formula: C32 H24 O4
• Calculated formula: C32 H24 O4
• SMILES: c1cccc2ccc3c(c12)C1[C@H]2C(O3)(c3cc(ccc3O[C@@H]2OC)C)Oc2c1c1ccccc1cc2.c1cccc2ccc3c(c12)C1[C@@H]2C(O3)(c3cc(ccc3O[C@H]2OC)C)Oc2c1c1ccccc1cc2
• Title of publication: 13,13a-Dihydro-13-methoxy-9-methyl-1-benzopyrano[4,3-<i>i</i>]dinaphtho[2,1-<i>c</i>;1',2'-<i>f</i>]-2,8-dioxabicyclo[3.3.1]nonane
• Authors of publication: Sahana, Sirin; Bandyopadhyay, Chandrakanta; Chaudhuri, Siddhartha
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1450 - 1451
• a: 10.191 ± 0.007 Å
• b: 10.963 ± 0.01 Å
• c: 12.621 ± 0.0011 Å
• α: 102.23 ± 0.06°
• β: 114.58 ± 0.03°
• γ: 100.64 ± 0.06°
• Cell volume: 1192.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No