Crystallography Open Database

Information card for entry 1558458

Preview

Coordinates	1558458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H29 N O2
Calculated formula	C23 H29 N O2
SMILES	O1[C@@H]2CCCC[C@H]2CN2C(=O)[C@H]3[C@H]4CC[C@@H]([C@H]3[C@]12c1ccc(cc1)C)C4.O1[C@H]2CCCC[C@@H]2CN2C(=O)[C@@H]3[C@@H]4CC[C@H]([C@@H]3[C@@]12c1ccc(cc1)C)C4
Title of publication	X-Ray Structure of a Saturated Methylene-bridged Isoindolo[1,2-b][1,3]benzoxazine
Authors of publication	Argay, Gyula; Sillanpaa, Reijo; Stajer, Geza; Bernath, Gabor
Journal of publication	Acta Chemica Scandinavica
Year of publication	1994
Journal volume	48
Pages of publication	530 - 532
a	17.229 ± 0.002 Å
b	6.41 ± 0.002 Å
c	17.161 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1895.2 ± 0.8 Å³
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
253613 (current)	2020-07-01	cif/ Adding structures of 1558458 via cif-deposit CGI script.	1558458.cif