Crystallography Open Database

Information card for entry 7224626

Preview

Coordinates	7224626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21.18 N2 O2.59
Calculated formula	C22 H21.178 N2 O2.589
Title of publication	Homochiral crystal generation via sequential dehydration and Viedma ripening
Authors of publication	Sivakumar, Reajean; Askari, Mohammad S.; Woo, Simon; Madwar, Carolin; Ottenwaelder, Xavier; Bohle, D. Scott; Cuccia, Louis A.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	23
Pages of publication	4277
a	9.1639 ± 0.0009 Å
b	21.32 ± 0.002 Å
c	10.0007 ± 0.001 Å
α	90°
β	109.652 ± 0.001°
γ	90°
Cell volume	1840.1 ± 0.3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
185280 (current)	2016-08-07	cif/ Updating files of 7224626, 7224627, 7224628 Original log message: Adding full bibliography for 7224626--7224628.cif.	7224626.cif
178291	2016-03-18	cif/ Adding structures of 7224626, 7224627, 7224628 via cif-deposit CGI script.	7224626.cif