Crystallography Open Database

Information card for entry 7157921

Preview

Coordinates	7157921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H19.669 N3 O5.735
Calculated formula	C9 H19.6693 N3 O5.73467
Title of publication	Amidino substituted 2-aminophenols: biologically important building blocks for the amidino-functionalization of 2-substituted benzoxazoles.
Authors of publication	Ptiček, Lucija; Hok, Lucija; Grbčić, Petra; Topić, Filip; Cetina, Mario; Rissanen, Kari; Pavelić, Sandra Kraljević; Vianello, Robert; Racané, Livio
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	12
Pages of publication	2784 - 2793
a	14.7267 ± 0.0007 Å
b	36.335 ± 0.0018 Å
c	7.3619 ± 0.0004 Å
α	90°
β	90.269 ± 0.004°
γ	90°
Cell volume	3939.3 ± 0.3 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 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	0.1146
Residual factor for significantly intense reflections	0.0889
Weighted residual factors for significantly intense reflections	0.2339
Weighted residual factors for all reflections included in the refinement	0.2503
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation probe	x-ray
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
263857 (current)	2021-04-05	cif/ Updating files of 7157911, 7157912, 7157913, 7157914, 7157915, 7157916, 7157917, 7157918, 7157919, 7157920, 7157921 Original log message: Adding full bibliography for 7157911--7157921.cif.	7157921.cif
262378	2021-03-03	cif/ Adding structures of 7157911, 7157912, 7157913, 7157914, 7157915, 7157916, 7157917, 7157918, 7157919, 7157920, 7157921 via cif-deposit CGI script.	7157921.cif