Information card for entry 2008484

Structure parameters

• Chemical name: 2,2-di(2-methoxyphenyl)-4-methyl-7,8,9,10-tetrahydro-8,9epoxy[2H]benzo [ 1,2-b]chromene
• Formula: C28 H26 O4
• Calculated formula: C28 H26 O4
• SMILES: O1C(C=C(c2ccc3c(c12)C[C@@H]1O[C@@H]1C3)C)(c1ccccc1OC)c1ccccc1OC.O1C(C=C(c2ccc3c(c12)C[C@H]1O[C@H]1C3)C)(c1ccccc1OC)c1ccccc1OC
• Title of publication: 2,2-Bis(2-methoxyphenyl)-4-methyl-8,9-epoxy-7,8,9,10-tetrahydro-2<i>H</i>-benzo[<i>h</i>]chromene
• Authors of publication: Chinnakali, Kandasamy; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 768 - 770
• a: 8.4481 ± 0.0001 Å
• b: 16.4652 ± 0.0001 Å
• c: 16.814 ± 0.0002 Å
• α: 104.33 ± 0.001°
• β: 97.886 ± 0.001°
• γ: 92.943 ± 0.001°
• Cell volume: 2235.74 ± 0.04 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: 0.118
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No