Crystallography Open Database

Information card for entry 4038216

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Structure parameters

Common name	PPh2H
Formula	C34 H32 N4 O3 P2
Calculated formula	C34 H32 N4 O3 P2
Title of publication	Pyridinyl Amide Ion Pairs as Lewis Base Organocatalysts.
Authors of publication	Helberg, Julian; Ampßler, Torsten; Zipse, Hendrik
Journal of publication	The Journal of organic chemistry
Year of publication	2020
a	26.0481 ± 0.0008 Å
b	6.0009 ± 0.0002 Å
c	20.9637 ± 0.0007 Å
α	90°
β	113.989 ± 0.001°
γ	90°
Cell volume	2993.83 ± 0.17 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	4038216.cif
250460	2020-04-08	cif/ Adding structures of 4038203, 4038204, 4038205, 4038206, 4038207, 4038208, 4038209, 4038210, 4038211, 4038212, 4038213, 4038214, 4038215, 4038216, 4038217, 4038218, 4038219, 4038220 via cif-deposit CGI script.	4038216.cif