Crystallography Open Database

Information card for entry 1503234

Preview

Coordinates	1503234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C232 H264 N4 O27 P4
Calculated formula	C232 H264 N4 O27 P4
Title of publication	Synthesis of inherently chiral calix[4]arenes: stereocontrol through ligand choice.
Authors of publication	Herbert, Simon A.; Arnott, Gareth E.
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	20
Pages of publication	4600 - 4603
a	9.59 ± 0.0019 Å
b	16.381 ± 0.003 Å
c	32.198 ± 0.006 Å
α	90°
β	96.45 ± 0.03°
γ	90°
Cell volume	5026.1 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1503234.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1503234.cif
37114	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1503234 via cif-deposit CGI script.	1503234.cif