Crystallography Open Database

Information card for entry 8105107

Preview

Coordinates	8105107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23 N O3
Calculated formula	C27 H23 N O3
Title of publication	Synthesis and crystal structure of benzyl 5-oxo-5-phenyl-2-(quinolin-2-yl)pentanoate, C27H23NO3
Authors of publication	Wang, Li; An, Xiao-Xin; Cui, Yong-Fan; Dong, Wen-Kui
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	2
Pages of publication	359 - 360
a	5.8236 ± 0.0004 Å
b	16.7277 ± 0.0013 Å
c	10.5963 ± 0.0007 Å
α	90°
β	96.022 ± 0.002°
γ	90°
Cell volume	1026.55 ± 0.13 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0926
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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