Information card for entry 8104709

Structure parameters

• Chemical name: benzo[<i>d</i>][1,3]dioxol-5-yl 2-(6-methoxynaphthalen-2-yl)propanoate
• Formula: C21 H18 O5
• Calculated formula: C21 H18 O5
• Title of publication: Crystal structure of benzo[d][1,3]dioxol-5-yl-2-(6-methoxynaphthalen-2-yl)propanoate, C21H18O5
• Authors of publication: Sun, Wei; Wang, Yan; Zhou, Xiao-ping; Zhang, Mu-xin; Yang, Jin-zhu; Liang, Di
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 4
• Pages of publication: 779 - 780
• a: 9.1511 ± 0.0004 Å
• b: 5.6679 ± 0.0003 Å
• c: 16.7731 ± 0.0009 Å
• α: 90°
• β: 93.435 ± 0.002°
• γ: 90°
• Cell volume: 868.42 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0477
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No