Crystallography Open Database

Information card for entry 1545744

Preview

Coordinates	1545744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H26 Cl5 D N3 O3
Calculated formula	C33 H26 Cl5 N3 O3
Title of publication	Chiral Diphosphine-Palladium-Catalyzed Sequential Asymmetric Double-Friedel-Crafts Alkylation and N-Hemiketalization for Spiro-polycyclic Indole Derivatives.
Authors of publication	Li, Nai-Kai; Zhang, Jun-Qi; Sun, Bing-Bing; Li, Hai-Yan; Wang, Xing-Wang
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	8
Pages of publication	1954 - 1957
a	16.2146 ± 0.001 Å
b	22.561 ± 0.0014 Å
c	9.2044 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3367.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.1666
Residual factor for significantly intense reflections	0.0981
Weighted residual factors for significantly intense reflections	0.2699
Weighted residual factors for all reflections included in the refinement	0.3119
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
196175 (current)	2017-05-05	cif/ Updating files of 1545744 Original log message: Adding full bibliography for 1545744.cif.	1545744.cif
195430	2017-04-14	cif/ Adding structures of 1545744 via cif-deposit CGI script.	1545744.cif