Crystallography Open Database

Information card for entry 7118254

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Structure parameters

Formula	C18 H19 N O3
Calculated formula	C18 H19 N O3
Title of publication	Construction of 1-pyrroline skeletons by Lewis acid-mediated conjugate addition of vinyl azides.
Authors of publication	Zhu, Xu; Chiba, Shunsuke
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	12
Pages of publication	2473 - 2476
a	15.9415 ± 0.0012 Å
b	14.8517 ± 0.0012 Å
c	6.2573 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1481.5 ± 0.2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1131
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1308
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7118254.cif
175868	2016-02-04	cif/ Updating files of 7118247, 7118248, 7118249, 7118250, 7118251, 7118252, 7118253, 7118254 Original log message: Adding full bibliography for 7118247--7118254.cif.	7118254.cif
173476	2016-01-05	cif/ Adding structures of 7118248, 7118249, 7118250, 7118251, 7118252, 7118253, 7118254 via cif-deposit CGI script.	7118254.cif