Crystallography Open Database

Information card for entry 1566832

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Coordinates	1566832.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 N3 O P S3
Calculated formula	C36 H24 N3 O P S3
Title of publication	Crystallization Induced Room-Temperature Phosphorescence and Chiral Photoluminescence Properties of Phosphoramides
Authors of publication	Jena, Satyam; Jusaina, Jusaina; Behera, Santosh Kumar; Kitahara, Maho; Imai, Yoshitane; Thilagar, P.
Journal of publication	Chemical Science
Year of publication	2022
a	27.1703 ± 0.0013 Å
b	14.9942 ± 0.0008 Å
c	17.8873 ± 0.0009 Å
α	90°
β	111.203 ± 0.001°
γ	90°
Cell volume	6793.9 ± 0.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0879
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1683
Weighted residual factors for all reflections included in the refinement	0.2186
Goodness-of-fit parameter for all reflections included in the refinement	0.705
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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