Crystallography Open Database

Information card for entry 7111257

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Structure parameters

Formula	C26 H37 O2 P
Calculated formula	C26 H37 O2 P
SMILES	P1(=O)([C@@H]2[C@H]3CC[C@@](C3(C)C)(C)[C@@H]2O[C@@H]2[C@]3(C)CC[C@@H](C3(C)C)[C@H]12)c1ccccc1
Title of publication	Chiral pentacyclic phosphines as a new ligand class
Authors of publication	Haigh, Robert; Malik, K. M. Abdul; Newman, Paul D.
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	21
Pages of publication	2558 - 2559
a	11.656 ± 0.002 Å
b	12.06 ± 0.002 Å
c	16.579 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2330.5 ± 0.7 Å³
Cell temperature	150 ± 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	0.0422
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7111257.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111257.cif
173443	2016-01-04	cif/ (antanas@kurmis) Updating bibliographies for multiple entries.	7111257.cif
96388	2014-01-29	cif/ Adding structures of 7111257, 7111258 via cif-deposit CGI script.	7111257.cif