Crystallography Open Database

Information card for entry 4030514

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Structure parameters

Common name	Benzoylphosphonodiamidite
Chemical name	(bis(diisopropylamino)phosphanyl)(phenyl)methanone
Formula	C19 H33 N2 O P
Calculated formula	C19 H33 N2 O P
SMILES	P(N(C(C)C)C(C)C)(N(C(C)C)C(C)C)C(=O)c1ccccc1
Title of publication	Synthesis of dinucleoside acylphosphonites by phosphonodiamidite chemistry and investigation of phosphorus epimerization.
Authors of publication	Hersh, William H.
Journal of publication	Beilstein journal of organic chemistry
Year of publication	2015
Journal volume	11
Pages of publication	184 - 191
a	15.8768 ± 0.0008 Å
b	9.2589 ± 0.0005 Å
c	14.0614 ± 0.0007 Å
α	90°
β	108.877 ± 0.001°
γ	90°
Cell volume	1955.87 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4030514.cif
178484	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/05.	4030514.cif
134876	2015-04-04	cif/ Updating files of 4030514 Original log message: Adding full bibliography for 4030514.cif.	4030514.cif
130230	2015-01-31	cif/ Adding structures of 4030514 via cif-deposit CGI script.	4030514.cif