Information card for entry 7242895

Structure parameters

• Formula: C10 H8 O3
• Calculated formula: C10 H8 O3
• SMILES: c1(=O)ccc2ccc(cc2o1)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: 6.8212 ± 0.0003 Å
• b: 13.3401 ± 0.0005 Å
• c: 18.5886 ± 0.0007 Å
• α: 80.8654 ± 0.0017°
• β: 89.4342 ± 0.0017°
• γ: 81.6705 ± 0.0016°
• Cell volume: 1652.26 ± 0.11 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0663
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No