Crystallography Open Database

Information card for entry 8104744

Preview

Coordinates	8104744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 O4
Calculated formula	C21 H20 O4
Title of publication	Crystal structure of 2-methoxyphenyl 2-(6-methoxynaphthalen-2-yl)propanoate, C21H20O4
Authors of publication	Sun, Wei; Shi, Zhe; Wang, Yan; Zhou, Xiao-ping; Liang, Di
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	4
Pages of publication	885 - 886
a	5.7726 ± 0.001 Å
b	12.662 ± 0.002 Å
c	12.068 ± 0.003 Å
α	90°
β	92.377 ± 0.011°
γ	90°
Cell volume	881.3 ± 0.3 Å³
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	0.0384
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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