Crystallography Open Database

Information card for entry 7115524

Preview

Coordinates	7115524.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 Br N3 O2
Calculated formula	C24 H26 Br N3 O2
Title of publication	One-pot enantioselective construction of indoloquinolizidine derivatives bearing five contiguous stereocenters using aliphatic aldehydes, nitroethylenes, and tryptamine
Authors of publication	Yu Tan; Han-Lin Luan; Hua Lin; Xing-Wen Sun; Xiao-Di Yang; Han-Qing Dong; Guo-Qiang Lin
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	10027
a	10.78 ± 0.004 Å
b	13.453 ± 0.006 Å
c	15.304 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2219.4 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0465
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0429
Weighted residual factors for all reflections included in the refinement	0.0439
Goodness-of-fit parameter for all reflections included in the refinement	1
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
180269 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/55.	7115524.cif
125321	2014-10-14	cif/ Adding structures of 7115524, 7115525 via cif-deposit CGI script.	7115524.cif