Crystallography Open Database

Information card for entry 1572985

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Coordinates	1572985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H19 N O
Calculated formula	C31 H19 N O
Title of publication	Organic Dopant Cyclization and Significantly Improved RTP Properties
Authors of publication	Zhang, Shiguo; Liu, Guanyu; Mao, Zhichao; Xue, Shanfeng; Sun, Qikun; Yang, Wenjun
Journal of publication	Chemical Science
Year of publication	2024
a	9.042 ± 0.0002 Å
b	25.7448 ± 0.0007 Å
c	9.2981 ± 0.0002 Å
α	90°
β	102.736 ± 0.002°
γ	90°
Cell volume	2111.2 ± 0.09 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0975
Residual factor for significantly intense reflections	0.0816
Weighted residual factors for significantly intense reflections	0.2291
Weighted residual factors for all reflections included in the refinement	0.2506
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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