Crystallography Open Database

Information card for entry 7218822

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Coordinates	7218822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H95 N4 O14
Calculated formula	C41 H47.5 N2 O7
Title of publication	Synthesis, crystal structures and phase transformation of the new solid-state forms of tetrandrine
Authors of publication	Zhou, Zhengzheng; Tong, Henry H. Y.; Li, Liang; Shek, Fanny L. Y.; Lv, Yang; Zheng, Ying
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	107
Pages of publication	62586
a	18.7432 ± 0.0005 Å
b	9.9123 ± 0.0003 Å
c	19.341 ± 0.0006 Å
α	90°
β	93.296 ± 0.003°
γ	90°
Cell volume	3587.39 ± 0.18 Å³
Cell temperature	100 ± 10 K
Ambient diffraction temperature	100 ± 10 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1105
Weighted residual factors for all reflections included in the refinement	0.1171
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180519 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/88.	7218822.cif
127558	2014-11-20	cif/ Adding structures of 7218820, 7218821, 7218822 via cif-deposit CGI script.	7218822.cif