Crystallography Open Database

Information card for entry 7131078

Preview

Coordinates	7131078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 N2 O2
Calculated formula	C24 H22 N2 O2
Title of publication	Stereoselective synthesis of 1,6-diazecanes by a tandem aza-Prins type dimerization and cyclization process.
Authors of publication	Kim, Gyeong Un; Cho, Hyunmi; Lee, Jae Kyun; Lee, Jae Yeol; Tae, Jinsung; Min, Sun-Joon; Kang, Taek; Cho, Yong Seo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2022
Journal volume	59
Journal issue	1
Pages of publication	82 - 85
a	7.1626 ± 0.0014 Å
b	17.647 ± 0.004 Å
c	7.7716 ± 0.0016 Å
α	90°
β	102.13 ± 0.03°
γ	90°
Cell volume	960.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0819
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1227
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281318 (current)	2023-03-04	cif/ Updating files of 7131076, 7131077, 7131078 Original log message: Adding full bibliography for 7131076--7131078.cif.	7131078.cif
279784	2022-12-08	cif/ Adding structures of 7131076, 7131077, 7131078 via cif-deposit CGI script.	7131078.cif