3A,4,5-TRIHYDROXY-5,7,7-TRIMETHYLPERHYDRO-4-PHOSPHAINDENE 4-OXIDE
Küçük Resim Yok
Tarih
1991
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Munksgaard Int Publ Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
C11H21O4P.2H2O, M(r) = 284.28, monoclinic, P2(1)/n, a = 6.818 (4), b = 12.956 (3), c = 32.854 (7) angstrom, beta = 91.01 (3)degrees, V = 2901.81 angstrom 3, Z = 8, D(x) = 1.301 g cm-3, lambda(Cu K-alpha) = 1.54178 angstrom, mu = 18.4 cm-1, F(000) = 1232, T = 293 K, R(F) = 0.045, wR(F) = 0.049 for 3421 observed reflections [F(o) greater-than-or-equal-to 3-sigma(F(o))] and 327 parameters. The asymmetric unit consists of two independent molecules existing in almost identical conformations. Molecule 1: The six-membered phosphorinane ring exists in a distorted chair conformation [the asymmetry parameters are DELTA-C(s)P(1) = 5.66 (6), DELTA-C(s)C(1) = 6.37 (6), DELTA-C2C(1),C(2) = 11.26 (6)degrees]. The five-membered cyclopentane ring is an envelope with C(4) at the flap [DELTA-C(s)C(4) = 10.07 (6)degrees]. Molecule 2: The six-membered phosphorinane ring is a distorted chair [DELTA-C(s)P(2) = 3.25 (6), DELTA-C(s)C(21) = 7.10 (6), DELTA-C2C(22) = 12.71 (6)degrees]. The five-membered cyclopentane ring is an envelope with C(24) at the flap [DELTA-C(s)C(24) = 7.10 (6)degrees]. The rings in both molecules are trans-fused and the hydroxyl groups O(4) and O(24) are trans to the phosphoryl groups. There are a large number of intra- and intermolecular hydrogen bonds in the structure formed between water molecules, phosphoryl and hydroxyl groups.
Açıklama
Anahtar Kelimeler
[No Keywords]
Kaynak
Acta Crystallographica Section C-Crystal Structure Communications
WoS Q Değeri
N/A
Scopus Q Değeri
Cilt
47
