Crystallography Open Database

Information card for entry 2209512

2209511 << 2209512 >> 2209513

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Structure parameters

Chemical name	N-Allyl-4,6-bis(diphenylphosphino)phenoxazine-10-carboxamide
Formula	C40 H32 N2 O2 P2
Calculated formula	C40 H32 N2 O2 P2
SMILES	C=CCNC(=O)N1c2cccc(c2Oc2c1cccc2P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
Title of publication	<i>N</i>-Allyl-4,6-bis(diphenylphosphino)phenoxazine-10-carboxamide
Authors of publication	Ricken, Stefan; Schürmann, Markus; Preut, Hans; Eilbracht, Peter
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	7
Pages of publication	o2637 - o2638
a	11.374 ± 0.0007 Å
b	12.5567 ± 0.0008 Å
c	13.1164 ± 0.0012 Å
α	115.644 ± 0.004°
β	97.432 ± 0.005°
γ	92.527 ± 0.004°
Cell volume	1664.1 ± 0.2 Å³
Cell temperature	291 ± 1 K
Ambient diffraction temperature	291 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0987
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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