Crystallography Open Database

Information card for entry 4070276

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Structure parameters

Formula	C34 H44 N2 O4
Calculated formula	C34 H44 N2 O4
SMILES	c1(c(c(c(c(c1N(C(C)C)C(C)C)c1ccccc1)N(C(C)C)C(C)C)c1ccccc1)C(=O)OC)C(=O)OC
Title of publication	Synthesis, Structure, and Chemistry of 2-Amino-Substituted Phosphirenes
Authors of publication	Panichakul, Duanghathai; Mathey, François
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	19
Pages of publication	5705
a	22.0421 ± 0.0006 Å
b	11.3051 ± 0.0003 Å
c	15.4125 ± 0.0007 Å
α	90°
β	126.353 ± 0.001°
γ	90°
Cell volume	3093.15 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	1.129
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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