Crystallography Open Database

Information card for entry 1506732

Preview

Coordinates	1506732.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bbc-Phg-OMe
Formula	C24 H24 N2 O8
Calculated formula	C24 H24 N2 O8
SMILES	O(C)C(=O)[C@@H](NC(=O)OCC#CCOC(=O)N[C@H](C(=O)OC)c1ccccc1)c1ccccc1
Title of publication	But-2-ynylbisoxycarbonyl chloride: a novel C2-symmetric reagent for the protection of amines and amino acids.
Authors of publication	Ramesh, R.; Chandrasekaran, S.
Journal of publication	Organic letters
Year of publication	2005
Journal volume	7
Journal issue	22
Pages of publication	4947 - 4950
a	9.0402 ± 0.0002 Å
b	9.0402 ± 0.0002 Å
c	29.7809 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2433.85 ± 0.11 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.13
Goodness-of-fit parameter for all reflections included in the refinement	1.272
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
176729 (current)	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.	1506732.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506732.cif
50542	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 1506732 via cif-deposit CGI script.	1506732.cif