Crystallography Open Database

Information card for entry 7061474

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Coordinates	7061474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 N O3
Calculated formula	C27 H25 N O3
Title of publication	Diastereoselective formation of β-lactams via a three-component reaction
Authors of publication	Shao, Ying; Tian, Shijie; Zhu, Jie; Tang, Shengbiao; Sun, Jiangtao
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	21
Pages of publication	9989 - 9993
a	9.8643 ± 0.0012 Å
b	10.2577 ± 0.0012 Å
c	12.3234 ± 0.0015 Å
α	68.513 ± 0.004°
β	77.801 ± 0.004°
γ	72.568 ± 0.004°
Cell volume	1099.7 ± 0.2 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 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	0.1253
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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