Information card for entry 7158455

Structure parameters

• Chemical name: 6-Methoxy-2,3-bis(4-methoxyphenyl)benzo[de]chromene
• Formula: C27 H22 O4
• Calculated formula: C27 H22 O4
• SMILES: O1c2c3c(C(=C1c1ccc(OC)cc1)c1ccc(OC)cc1)ccc(OC)c3ccc2
• Title of publication: Oxidative [4 + 2] annulation of 1-naphthols with alkynes accelerated by an electron-deficient rhodium(III) catalysts.
• Authors of publication: Araujo Dias, Antônio Junio; Takahashi, Hiroto; Nogami, Juntaro; Nagashima, Yuki; Tanaka, Ken
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 5
• Pages of publication: 1008 - 1012
• a: 9.6823 ± 0.0004 Å
• b: 10.4434 ± 0.0004 Å
• c: 11.6367 ± 0.0005 Å
• α: 82.076 ± 0.004°
• β: 78.416 ± 0.004°
• γ: 65.109 ± 0.004°
• Cell volume: 1043.73 ± 0.08 ų
• Cell temperature: 210 K
• Ambient diffraction temperature: 210 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: 0.0594
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No