Crystallography Open Database

Information card for entry 7230336

Preview

Coordinates	7230336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 Cl N O8
Calculated formula	C20 H26 Cl N O8
Title of publication	Observation of bending, cracking and jumping phenomena on cooling and heating of tetrahydrate berberine chloride crystals
Authors of publication	Singh, Manjeet; Bhandary, Subhrajyoti; Bhowal, Rohit; Chopra, Deepak
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	16
Pages of publication	2253
a	6.8909 ± 0.0004 Å
b	11.4787 ± 0.0006 Å
c	13.1419 ± 0.0007 Å
α	76.205 ± 0.004°
β	89.221 ± 0.004°
γ	85.231 ± 0.004°
Cell volume	1006.01 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1036
Residual factor for significantly intense reflections	0.058
Weighted residual factors for significantly intense reflections	0.1443
Weighted residual factors for all reflections included in the refinement	0.1786
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
229022 (current)	2019-11-17	cif/ Updating files of 7230336, 7230337 Original log message: Adding full bibliography for 7230336--7230337.cif.	7230336.cif
207035	2018-03-21	cif/ Adding structures of 7230336, 7230337 via cif-deposit CGI script.	7230336.cif