Crystallography Open Database

Information card for entry 1505246

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Structure parameters

Formula	C24 H29 N O5
Calculated formula	C24 H29 N O5
SMILES	N1(O[C@@H]2[C@@H](O)[C@@H]3OC(O[C@H]3[C@H](OCc3ccccc3)[C@H]1C2)(C)C)Cc1ccccc1
Title of publication	trans-acetonide controlled endo-selective intramolecular nitrone-alkene cycloaddition of hept-6-enoses: a facile entry to calystegines, tropanes, and hydroxylated aminocycloheptanes.
Authors of publication	Shing, Tony K. M.; Wong, Wai F.; Ikeno, Taketo; Yamada, Tohru
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	2
Pages of publication	207 - 209
a	9.6762 ± 0.001 Å
b	11.9288 ± 0.0013 Å
c	19.077 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2202 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1418
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1916
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1505246.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1505246.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505246.cif
45452	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505246 via cif-deposit CGI script.	1505246.cif