Information card for entry 7242898

Structure parameters

• Formula: C20 H16 O6
• Calculated formula: C20 H16 O6
• SMILES: C1(=O)C2C(c3ccc(cc3O1)OC)C1C(=O)Oc3c(C21)ccc(c3)OC
• Title of publication: Photoinduced topographical surface changes and photoresponse of the crystals of 7-methoxycoumarin
• Authors of publication: Yano, Kanae; Nishimura, Ryo; Hattori, Yohei; Morimoto, Masakazu; Sugiyama, Haruki; Kamitanaka, Takashi; Yokojima, Satoshi; Nakamura, Shinichio; Uchida, Kingo
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 34
• Pages of publication: 5780 - 5787
• a: 14.6312 ± 0.0007 Å
• b: 12.0469 ± 0.0006 Å
• c: 18.6651 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3289.9 ± 0.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.305
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No