Crystallography Open Database

Information card for entry 7233532

Preview

Coordinates	7233532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H43 N3 O2
Calculated formula	C18 H43 N3 O2
Title of publication	Unusual isomorphism in crystals of organic solvates with hydrazine and water
Authors of publication	Navasardyan, Mger A.; Kuz'mina, Lyudmila G.; Churakov, Andrei V.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	38
Pages of publication	5693
a	16.8256 ± 0.0005 Å
b	17.1025 ± 0.0005 Å
c	15.0186 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4321.7 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
223727 (current)	2019-11-07	cif/ Updating files of 7233530, 7233531, 7233532 Original log message: Adding full bibliography for 7233530--7233532.cif.	7233532.cif
217805	2019-08-29	cif/ Adding structures of 7233530, 7233531, 7233532 via cif-deposit CGI script.	7233532.cif