Crystallography Open Database

Information card for entry 7244483

Preview

Coordinates	7244483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H31 N O3
Calculated formula	C30 H31 N O3
SMILES	c1(cc(c(c(c1)C)O)C)CC(c1ccc2ccccc2n1)(Cc1cc(c(c(c1)C)O)C)C(=O)C
Title of publication	Sustainable electrochemical dehydrogenative C(sp3)–H mono/di-alkylations
Authors of publication	He, Jin-Yu; Qian, Wei-Feng; Wang, Yan-Zhao; Yao, Chaochao; Wang, Nana; Liu, Huilin; Zhong, Bing; Zhu, Cuiju; Xu, Hao
Journal of publication	Green Chemistry
Year of publication	2022
Journal volume	24
Journal issue	6
Pages of publication	2483 - 2491
a	8.224 ± 0.004 Å
b	14.043 ± 0.007 Å
c	21.164 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	2444 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.1001
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1734
Weighted residual factors for all reflections included in the refinement	0.207
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274991 (current)	2022-05-05	cif/ Updating files of 7244482, 7244483, 7244484 Original log message: Adding full bibliography for 7244482--7244484.cif.	7244483.cif
273138	2022-02-24	cif/ Adding structures of 7244482, 7244483, 7244484 via cif-deposit CGI script.	7244483.cif