Crystallography Open Database

Information card for entry 7120399

7120398 << 7120399 >> 7120400

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Structure parameters

Common name	SNAPF-Me2
Formula	C31 H23 O3 P
Calculated formula	C31 H23 O3 P
SMILES	[P]1(=O)(C2=CC(=O)C=CC2=C(c2cc3ccc(cc3cc12)O)c1c(cccc1C)C)c1ccccc1
Title of publication	Synthesis of seminaphtho-phospha-fluorescein dyes based on the consecutive arylation of aryldichlorophosphines
Authors of publication	Fukazawa, Aiko; Usuba, Junichi; Adler, Raúl A.; Yamaguchi, Shigehiro
Journal of publication	Chem. Commun.
Year of publication	2017
a	9.735 ± 0.0007 Å
b	15.9966 ± 0.0009 Å
c	15.9748 ± 0.0015 Å
α	90°
β	105.392 ± 0.004°
γ	90°
Cell volume	2398.5 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0411
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.0937
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7120399.cif
198562	2017-07-08	cif/ Adding structures of 7120399, 7120400, 7120401 via cif-deposit CGI script.	7120399.cif