Crystallography Open Database

Information card for entry 4020435

4020434 << 4020435 >> 4020436

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Coordinates	4020435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H25 O8 P
Calculated formula	C18 H25 O8 P
Title of publication	Intramolecular Hydrogen Bonding (P=O‒H) Stabilizes the Chair Conformation of Six-Membered Ring Phosphates
Authors of publication	Silvano Cruz-Gregorio; Mario Sánchez; Angel Clara-Sosa; Sylvain Bèrnes; Leticia Quintero; Fernando Sartillo-Piscil
Journal of publication	Journal of Organic Chemistry
Year of publication	2005
Journal volume	70
Pages of publication	7107 - 7113
a	5.7176 ± 0.0009 Å
b	10.4131 ± 0.0015 Å
c	17.571 ± 0.003 Å
α	90°
β	96.229 ± 0.013°
γ	90°
Cell volume	1040 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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