Crystallography Open Database

Information card for entry 7121813

Preview

Coordinates	7121813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H16 N2 O2
Calculated formula	C13 H16 N2 O2
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	28.7011 ± 0.0014 Å
b	9.388 ± 0.0005 Å
c	8.9139 ± 0.0004 Å
α	90°
β	99.23 ± 0.002°
γ	90°
Cell volume	2370.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0619
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1152
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	7121813.cif
208168	2018-06-07	cif/ Adding structures of 7121812, 7121813 via cif-deposit CGI script.	7121813.cif