Information card for entry 2213212

Structure parameters

• Common name: 3,6,9-trimethyl-2,3-dihydrobenzo[de]chromene-7,8-dione
• Chemical name: 3,6,9-trimethyl-2,3-dihydrobenzo[de]chromene-7,8-dione
• Formula: C15 H14 O3
• Calculated formula: C15 H14 O3
• SMILES: O1C2=C(C(=O)C(=O)c3c2c(ccc3C)[C@H](C1)C)C
• Title of publication: 3,6,9-Trimethyl-2,3-dihydrobenzo[<i>de</i>]chromene-7,8-dione
• Authors of publication: Hoong-Kun Fun; Sompong Boonsri; Suchada Chantrapromma; Nawong Boonnak; Chatchanok Karalai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2127 - o2129
• a: 7.1615 ± 0.0001 Å
• b: 18.6558 ± 0.0003 Å
• c: 18.0323 ± 0.0003 Å
• α: 90°
• β: 98.216 ± 0.001°
• γ: 90°
• Cell volume: 2384.45 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes