Crystallography Open Database

Information card for entry 1568016

Preview

Coordinates	1568016.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.31 H21.62 Cl0.62 N3 O2
Calculated formula	C22.3114 H21.6228 Cl0.6228 N3 O2
Title of publication	Photocatalytic enantioselective Minisci reaction of β-carbolines and application to natural product synthesis.
Authors of publication	Luo, Mu-Peng; Gu, Yi-Jie; Wang, Shou-Guo
Journal of publication	Chemical science
Year of publication	2023
Journal volume	14
Journal issue	2
Pages of publication	251 - 256
a	14.6467 ± 0.0011 Å
b	14.7349 ± 0.0012 Å
c	18.2076 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3929.5 ± 0.5 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	5
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	0.0385
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281364 (current)	2023-03-04	cif/ Updating files of 1568016 Original log message: Adding full bibliography for 1568016.cif.	1568016.cif
279550	2022-11-25	cif/ Adding structures of 1568016 via cif-deposit CGI script.	1568016.cif