Crystallography Open Database

Information card for entry 7008555

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Structure parameters

Formula	C30 H65 B3 N O8 P
Calculated formula	C30 H65 B3 N O8 P
SMILES	[P+](N)(C(C)(C)C)(C(C)(C)C)C(C)(C)C.[B]1(OC(C)(C)C(O1)(C)C)(OB1OC(C)(C)C(O1)(C)C)OB1OC(C)(C)C(O1)(C)C
Title of publication	Syntheses and reactions of the bis-boryloxide O(Bpin)2(pin = O2C2Me4).
Authors of publication	Hawkeswood, Sarah; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	12
Pages of publication	2182 - 2187
a	10.752 ± 0.003 Å
b	13.737 ± 0.004 Å
c	14.181 ± 0.004 Å
α	94.422 ± 0.006°
β	104.55 ± 0.006°
γ	106.244 ± 0.006°
Cell volume	1921.8 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.247
Residual factor for significantly intense reflections	0.0854
Weighted residual factors for significantly intense reflections	0.1554
Weighted residual factors for all reflections included in the refinement	0.1984
Goodness-of-fit parameter for all reflections included in the refinement	0.843
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
301846 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure.	7008555.cif
179789	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/85.	7008555.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7008555.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7008555.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7008555.cif