Crystallography Open Database

Information card for entry 4500318

Preview

Coordinates	4500318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 O2
Calculated formula	C26 H32 O2
Title of publication	Hydrogen-Bonding Networks of Adamantane-Based Bisphenol Molecules: Toward the Preparation of Molecular Crystals with Channels
Authors of publication	Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	2
Pages of publication	542
a	8.136 ± 0.002 Å
b	11.986 ± 0.002 Å
c	21.178 ± 0.004 Å
α	90°
β	98.029 ± 0.002°
γ	90°
Cell volume	2045 ± 0.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	3
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	0.0504
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179534 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/03.	4500318.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500318.cif
34444	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500318 via cif-deposit CGI script.	4500318.cif