Crystallography Open Database

Information card for entry 1566035

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Coordinates	1566035.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	8.76363 ± 0.00011 Å
b	11.32074 ± 0.00014 Å
c	13.30299 ± 0.00013 Å
α	97.5 ± 0.0009°
β	93.5092 ± 0.0009°
γ	110.66 ± 0.0012°
Cell volume	1216.15 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0545
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1317
Weighted residual factors for all reflections included in the refinement	0.1406
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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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