Crystallography Open Database

Information card for entry 1566034

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Coordinates	1566034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 N O5
Calculated formula	C26 H27 N O5
Title of publication	Solvent Directed Chemical Divergent Synthesis of β-Lactams and α-Amino Acid Derivatives with Chiral Isothiourea
Authors of publication	Ji, Dong-Sheng; Liang, Hui; Yang, Kai-Xuan; Feng, Zhitao; Luo, Yong-Chun; Xu, Guo-Qiang; Gu, Yucheng; Xu, Peng-Fei
Journal of publication	Chemical Science
Year of publication	2022
a	8.3138 ± 0.0004 Å
b	11.6736 ± 0.0005 Å
c	25.1152 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2437.48 ± 0.18 Å³
Cell temperature	291.9 ± 0.1 K
Ambient diffraction temperature	291.9 ± 0.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.1003
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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