Information card for entry 2008079

Structure parameters

• Chemical name: 4-Methyl-7,7a,13a,14-tetrahydrobenzo[1,4]dioxino[2,3;6,7]naphtho[1,2-b] pyran-2-one.
• Formula: C20 H16 O4
• Calculated formula: C20 H16 O4
• SMILES: o1c(=O)cc(c2ccc3c(c12)C[C@H]1[C@@H](C3)Oc2c(O1)cccc2)C.o1c(=O)cc(c2ccc3c(c12)C[C@@H]1[C@H](C3)Oc2c(O1)cccc2)C
• Title of publication: 4-Methyl-7,7a,13a,14-tetrahydrobenzo[<i>e</i>]pyrano[2',3':5,6]naphtho[2,3-<i>b</i>][1,4]dioxin-2-one
• Authors of publication: Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vayalakkavoor T.Ramakrishnan; Ibrahim Abdul Razak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 91 - 92
• a: 57.344 ± 0.002 Å
• b: 9.7802 ± 0.0004 Å
• c: 10.6263 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5959.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections: 0.1547
• Weighted residual factors for significantly intense reflections: 0.1317
• Goodness-of-fit parameter for all reflections: 1.042
• Goodness-of-fit parameter for significantly intense reflections: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes