Crystallography Open Database

Information card for entry 7151264

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Structure parameters

Formula	C29 H27 O3 P
Calculated formula	C29 H27 O3 P
SMILES	P(=O)([C@@H]1[C@@H](O[C@@H](C1)[C@H](O)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.
Authors of publication	Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart
Journal of publication	Organic & biomolecular chemistry
Year of publication	2006
Journal volume	4
Journal issue	16
Pages of publication	3108 - 3112
a	5.9419 ± 0.0001 Å
b	14.361 ± 0.0003 Å
c	26.6529 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2274.34 ± 0.09 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0565
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
202017 (current)	2017-10-14	cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	7151264.cif
180298	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/12.	7151264.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7151264.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7151264.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7151264.cif