Crystallography Open Database

Information card for entry 7121949

7121948 << 7121949 >> 7121950

Preview

Coordinates	7121949.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H36 N4 O10
Calculated formula	C33 H36 N4 O10
Title of publication	Asymmetric synthesis of tetrahydroisoquinoline-fused spirooxindoles as Ras-GTP inhibitors that inhibit colon adenocarcinoma cell proliferation and invasion.
Authors of publication	Zhao, Qian; Peng, Cheng; Huang, Hua; Liu, Shuai-Jiang; Zhong, Ya-Jun; Huang, Wei; He, Gu; Han, Bo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	60
Pages of publication	8359 - 8362
a	10.4543 ± 0.0002 Å
b	13.8322 ± 0.0003 Å
c	23.1289 ± 0.0005 Å
α	90°
β	90.3385 ± 0.0017°
γ	90°
Cell volume	3344.52 ± 0.12 Å³
Cell temperature	295.12 ± 0.15 K
Ambient diffraction temperature	295.12 ± 0.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0875
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.2011
Weighted residual factors for all reflections included in the refinement	0.2138
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228546 (current)	2019-11-17	cif/ Updating files of 7121949 Original log message: Adding full bibliography for 7121949.cif.	7121949.cif
208982	2018-07-12	cif/ Adding structures of 7121949 via cif-deposit CGI script.	7121949.cif