Crystallography Open Database

Information card for entry 7121812

Preview

Coordinates	7121812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 N2 O
Calculated formula	C12 H14 N2 O
Title of publication	Synthesis of functionalized pyrroloindolines via a visible-light-induced radical cascade reaction: rapid synthesis of (±)-flustraminol B.
Authors of publication	Wu, Kui; Du, Yuliu; Wei, Zheng; Wang, Ting
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	54
Pages of publication	7443 - 7446
a	5.7386 ± 0.0004 Å
b	9.5416 ± 0.0007 Å
c	18.3137 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1002.77 ± 0.12 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	0.0572
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
228562 (current)	2019-11-17	cif/ Updating files of 7121812, 7121813 Original log message: Adding full bibliography for 7121812--7121813.cif.	7121812.cif
208168	2018-06-07	cif/ Adding structures of 7121812, 7121813 via cif-deposit CGI script.	7121812.cif