Crystallography Open Database

Information card for entry 7119790

7119789 << 7119790 >> 7119791

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Coordinates	7119790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H31 N3 O9
Calculated formula	C18 H31 N3 O9
SMILES	C1([C@@H]2[C@@H](C([C@H]3[C@H]1O[C@@]([C@@](C)(O3)OC)(C)OC)O)O[C@]([C@](C)(O2)OC)(C)OC)N=N#N
Title of publication	Regioselective SN2 reactions for rapid syntheses of azido-inositols by one-pot sequence-specific nucleophilysis.
Authors of publication	Ravi, Arthi; Hassan, Syed Zahid; Vanikrishna, Ajithkumar N.; Sureshan, Kana M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	28
Pages of publication	3971
a	11.8946 ± 0.0003 Å
b	17.0004 ± 0.0005 Å
c	21.7463 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4397.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1172
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1234
Weighted residual factors for all reflections included in the refinement	0.1495
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
194926 (current)	2017-04-05	cif/ Updating files of 7119789, 7119790, 7119791, 7119792, 7119793, 7119794, 7119795, 7119796 Original log message: Adding full bibliography for 7119789--7119796.cif.	7119790.cif
194173	2017-03-11	cif/ Adding structures of 7119789, 7119790, 7119791, 7119792, 7119793, 7119794, 7119795, 7119796 via cif-deposit CGI script.	7119790.cif